3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide

C242H345N49O26S2 — CID 157323252

IUPAC3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide
SMILESC=C(c1cccc(NC)c1)N1CCC1.CCC1CCCCN1C(=O)c1cccc(NC)c1.CCN(CC)C(=O)c1cccc(NC)c1.CCN(CCO)C(=O)c1cccc(NC)c1.CCNC(=O)c1cc(NC)ccc1C.CCNC(=O)c1cc(NC)cn1CC.CCc1nc(C(C)C)c(C(=O)N(C)C)s1.CCn1cc(NC)cc1C(=O)N1CCCC1.CNC(=O)c1cc(C)nc(NC)c1.CNC(=O)c1cccc(N(C)C)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(=O)N(C)C)ccn1.CNc1cc(C(=O)N2CCOCC2)ccn1.CNc1cccc(C(=O)N(C)CCO)c1.CNc1cccc(C(=O)N(C)Cc2ccco2)c1.CNc1cccc(C(=O)NC(C)(C)C)c1.CNc1cccc(C(=O)NC2CC2)c1.CNc1cccc(C(=O)NCC(C)(C)C)c1.CNc1cccc(C(=O)NCC2CCCCO2)c1.CNc1cccc(C(=O)NC[C@@H]2CCCO2)c1.CNc1cccc(C(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C15H22N2O.C14H16N2O2.C14H20N2O2.C13H18N2O2.C13H20N2O.C12H19N3O.C12H18N2O2.2C12H18N2O.C12H16N2.C11H12N4OS.C11H15N3O2.C11H16N2O2.C11H18N2OS.C11H14N2O.C11H16N2O.C10H17N3O.C10H14N2O.2C9H13N3O.C9H12N2O/c1-3-14-9-4-5-10-17(14)15(18)12-7-6-8-13(11-12)16-2;1-15-12-6-3-5-11(9-12)14(17)16(2)10-13-7-4-8-18-13;1-15-12-6-4-5-11(9-12)14(17)16-10-13-7-2-3-8-18-13;1-14-11-5-2-4-10(8-11)13(16)15-9-12-6-3-7-17-12;1-13(2,3)9-15-12(16)10-6-5-7-11(8-10)14-4;1-3-14-9-10(13-2)8-11(14)12(16)15-6-4-5-7-15;1-3-14(7-8-15)12(16)10-5-4-6-11(9-10)13-2;1-12(2,3)14-11(15)9-6-5-7-10(8-9)13-4;1-4-14(5-2)12(15)10-7-6-8-11(9-10)13-3;1-10(14-7-4-8-14)11-5-3-6-12(9-11)13-2;1-7-14-15-11(17-7)13-10(16)8-4-3-5-9(6-8)12-2;1-12-10-8-9(2-3-13-10)11(15)14-4-6-16-7-5-14;1-12-10-5-3-4-9(8-10)11(15)13(2)6-7-14;1-6-8-12-9(7(2)3)10(15-8)11(14)13(4)5;1-12-10-4-2-3-8(7-10)11(14)13-9-5-6-9;1-4-13-11(14)10-7-9(12-3)6-5-8(10)2;1-4-12-10(14)9-6-8(11-3)7-13(9)5-2;1-11-10(13)8-5-4-6-9(7-8)12(2)3;1-6-4-7(9(13)11-3)5-8(10-2)12-6;1-10-8-6-7(4-5-11-8)9(13)12(2)3;1-10-8-5-3-4-7(6-8)9(12)11-2/h6-8,11,14,16H,3-5,9-10H2,1-2H3;3-9,15H,10H2,1-2H3;4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17);2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16);5-8,14H,9H2,1-4H3,(H,15,16);8-9,13H,3-7H2,1-2H3;4-6,9,13,15H,3,7-8H2,1-2H3;5-8,13H,1-4H3,(H,14,15);6-9,13H,4-5H2,1-3H3;3,5-6,9,13H,1,4,7-8H2,2H3;3-6,12H,1-2H3,(H,13,15,16);2-3,8H,4-7H2,1H3,(H,12,13);3-5,8,12,14H,6-7H2,1-2H3;7H,6H2,1-5H3;2-4,7,9,12H,5-6H2,1H3,(H,13,14);5-7,12H,4H2,1-3H3,(H,13,14);6-7,11H,4-5H2,1-3H3,(H,12,14);4-7H,1-3H3,(H,11,13);4-5H,1-3H3,(H,10,12)(H,11,13);4-6H,1-3H3,(H,10,11);3-6,10H,1-2H3,(H,11,12)/t;;;12-;;;;;;;;;;;;;;;;;/m...0................./s1
InChIKeyBEKNMQFTYKDQJT-ZDKSSOQMSA-N
MW4420.87 g/mol
LogP36.32
Rot. Bonds65

About 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide

3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide (PubChem CID 157323252) has the molecular formula C242H345N49O26S2 and a molecular weight of 4420.87 g/mol. Its IUPAC name is 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide.

Molecular Properties

Compound Name3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide
PubChem CID157323252
Molecular FormulaC242H345N49O26S2
Molecular Weight4420.87 g/mol
Exact Mass4417.66
IUPAC Name3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide
SMILESC=C(c1cccc(NC)c1)N1CCC1.CCC1CCCCN1C(=O)c1cccc(NC)c1.CCN(CC)C(=O)c1cccc(NC)c1.CCN(CCO)C(=O)c1cccc(NC)c1.CCNC(=O)c1cc(NC)ccc1C.CCNC(=O)c1cc(NC)cn1CC.CCc1nc(C(C)C)c(C(=O)N(C)C)s1.CCn1cc(NC)cc1C(=O)N1CCCC1.CNC(=O)c1cc(C)nc(NC)c1.CNC(=O)c1cccc(N(C)C)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(=O)N(C)C)ccn1.CNc1cc(C(=O)N2CCOCC2)ccn1.CNc1cccc(C(=O)N(C)CCO)c1.CNc1cccc(C(=O)N(C)Cc2ccco2)c1.CNc1cccc(C(=O)NC(C)(C)C)c1.CNc1cccc(C(=O)NC2CC2)c1.CNc1cccc(C(=O)NCC(C)(C)C)c1.CNc1cccc(C(=O)NCC2CCCCO2)c1.CNc1cccc(C(=O)NC[C@@H]2CCCO2)c1.CNc1cccc(C(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C15H22N2O.C14H16N2O2.C14H20N2O2.C13H18N2O2.C13H20N2O.C12H19N3O.C12H18N2O2.2C12H18N2O.C12H16N2.C11H12N4OS.C11H15N3O2.C11H16N2O2.C11H18N2OS.C11H14N2O.C11H16N2O.C10H17N3O.C10H14N2O.2C9H13N3O.C9H12N2O/c1-3-14-9-4-5-10-17(14)15(18)12-7-6-8-13(11-12)16-2;1-15-12-6-3-5-11(9-12)14(17)16(2)10-13-7-4-8-18-13;1-15-12-6-4-5-11(9-12)14(17)16-10-13-7-2-3-8-18-13;1-14-11-5-2-4-10(8-11)13(16)15-9-12-6-3-7-17-12;1-13(2,3)9-15-12(16)10-6-5-7-11(8-10)14-4;1-3-14-9-10(13-2)8-11(14)12(16)15-6-4-5-7-15;1-3-14(7-8-15)12(16)10-5-4-6-11(9-10)13-2;1-12(2,3)14-11(15)9-6-5-7-10(8-9)13-4;1-4-14(5-2)12(15)10-7-6-8-11(9-10)13-3;1-10(14-7-4-8-14)11-5-3-6-12(9-11)13-2;1-7-14-15-11(17-7)13-10(16)8-4-3-5-9(6-8)12-2;1-12-10-8-9(2-3-13-10)11(15)14-4-6-16-7-5-14;1-12-10-5-3-4-9(8-10)11(15)13(2)6-7-14;1-6-8-12-9(7(2)3)10(15-8)11(14)13(4)5;1-12-10-4-2-3-8(7-10)11(14)13-9-5-6-9;1-4-13-11(14)10-7-9(12-3)6-5-8(10)2;1-4-12-10(14)9-6-8(11-3)7-13(9)5-2;1-11-10(13)8-5-4-6-9(7-8)12(2)3;1-6-4-7(9(13)11-3)5-8(10-2)12-6;1-10-8-6-7(4-5-11-8)9(13)12(2)3;1-10-8-5-3-4-7(6-8)9(12)11-2/h6-8,11,14,16H,3-5,9-10H2,1-2H3;3-9,15H,10H2,1-2H3;4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17);2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16);5-8,14H,9H2,1-4H3,(H,15,16);8-9,13H,3-7H2,1-2H3;4-6,9,13,15H,3,7-8H2,1-2H3;5-8,13H,1-4H3,(H,14,15);6-9,13H,4-5H2,1-3H3;3,5-6,9,13H,1,4,7-8H2,2H3;3-6,12H,1-2H3,(H,13,15,16);2-3,8H,4-7H2,1H3,(H,12,13);3-5,8,12,14H,6-7H2,1-2H3;7H,6H2,1-5H3;2-4,7,9,12H,5-6H2,1H3,(H,13,14);5-7,12H,4H2,1-3H3,(H,13,14);6-7,11H,4-5H2,1-3H3,(H,12,14);4-7H,1-3H3,(H,11,13);4-5H,1-3H3,(H,10,12)(H,11,13);4-6H,1-3H3,(H,10,11);3-6,10H,1-2H3,(H,11,12)/t;;;12-;;;;;;;;;;;;;;;;;/m...0................./s1
InChIKeyBEKNMQFTYKDQJT-ZDKSSOQMSA-N
XLogP36.32
TPSA906.43 Ų
H-Bond Donors32
H-Bond Acceptors57
Rotatable Bonds65
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004420.87
LogP ≤ 536.32
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1057

Analyze 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide?
The IUPAC name of 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide (CID 157323252) is 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide.
What is the SMILES notation for 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide?
The canonical SMILES for 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide is C=C(c1cccc(NC)c1)N1CCC1.CCC1CCCCN1C(=O)c1cccc(NC)c1.CCN(CC)C(=O)c1cccc(NC)c1.CCN(CCO)C(=O)c1cccc(NC)c1.CCNC(=O)c1cc(NC)ccc1C.CCNC(=O)c1cc(NC)cn1CC.CCc1nc(C(C)C)c(C(=O)N(C)C)s1.CCn1cc(NC)cc1C(=O)N1CCCC1.CNC(=O)c1cc(C)nc(NC)c1.CNC(=O)c1cccc(N(C)C)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(=O)N(C)C)ccn1.CNc1cc(C(=O)N2CCOCC2)ccn1.CNc1cccc(C(=O)N(C)CCO)c1.CNc1cccc(C(=O)N(C)Cc2ccco2)c1.CNc1cccc(C(=O)NC(C)(C)C)c1.CNc1cccc(C(=O)NC2CC2)c1.CNc1cccc(C(=O)NCC(C)(C)C)c1.CNc1cccc(C(=O)NCC2CCCCO2)c1.CNc1cccc(C(=O)NC[C@@H]2CCCO2)c1.CNc1cccc(C(=O)Nc2nnc(C)s2)c1.
What is the InChIKey of 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide?
The InChIKey is BEKNMQFTYKDQJT-ZDKSSOQMSA-N. The full InChI is InChI=1S/C15H22N2O.C14H16N2O2.C14H20N2O2.C13H18N2O2.C13H20N2O.C12H19N3O.C12H18N2O2.2C12H18N2O.C12H16N2.C11H12N4OS.C11H15N3O2.C11H16N2O2.C11H18N2OS.C11H14N2O.C11H16N2O.C10H17N3O.C10H14N2O.2C9H13N3O.C9H12N2O/c1-3-14-9-4-5-10-17(14)15(18)12-7-6-8-13(11-12)16-2;1-15-12-6-3-5-11(9-12)14(17)16(2)10-13-7-4-8-18-13;1-15-12-6-4-5-11(9-12)14(17)16-10-13-7-2-3-8-18-13;1-14-11-5-2-4-10(8-11)13(16)15-9-12-6-3-7-17-12;1-13(2,3)9-15-12(16)10-6-5-7-11(8-10)14-4;1-3-14-9-10(13-2)8-11(14)12(16)15-6-4-5-7-15;1-3-14(7-8-15)12(16)10-5-4-6-11(9-10)13-2;1-12(2,3)14-11(15)9-6-5-7-10(8-9)13-4;1-4-14(5-2)12(15)10-7-6-8-11(9-10)13-3;1-10(14-7-4-8-14)11-5-3-6-12(9-11)13-2;1-7-14-15-11(17-7)13-10(16)8-4-3-5-9(6-8)12-2;1-12-10-8-9(2-3-13-10)11(15)14-4-6-16-7-5-14;1-12-10-5-3-4-9(8-10)11(15)13(2)6-7-14;1-6-8-12-9(7(2)3)10(15-8)11(14)13(4)5;1-12-10-4-2-3-8(7-10)11(14)13-9-5-6-9;1-4-13-11(14)10-7-9(12-3)6-5-8(10)2;1-4-12-10(14)9-6-8(11-3)7-13(9)5-2;1-11-10(13)8-5-4-6-9(7-8)12(2)3;1-6-4-7(9(13)11-3)5-8(10-2)12-6;1-10-8-6-7(4-5-11-8)9(13)12(2)3;1-10-8-5-3-4-7(6-8)9(12)11-2/h6-8,11,14,16H,3-5,9-10H2,1-2H3;3-9,15H,10H2,1-2H3;4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17);2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16);5-8,14H,9H2,1-4H3,(H,15,16);8-9,13H,3-7H2,1-2H3;4-6,9,13,15H,3,7-8H2,1-2H3;5-8,13H,1-4H3,(H,14,15);6-9,13H,4-5H2,1-3H3;3,5-6,9,13H,1,4,7-8H2,2H3;3-6,12H,1-2H3,(H,13,15,16);2-3,8H,4-7H2,1H3,(H,12,13);3-5,8,12,14H,6-7H2,1-2H3;7H,6H2,1-5H3;2-4,7,9,12H,5-6H2,1H3,(H,13,14);5-7,12H,4H2,1-3H3,(H,13,14);6-7,11H,4-5H2,1-3H3,(H,12,14);4-7H,1-3H3,(H,11,13);4-5H,1-3H3,(H,10,12)(H,11,13);4-6H,1-3H3,(H,10,11);3-6,10H,1-2H3,(H,11,12)/t;;;12-;;;;;;;;;;;;;;;;;/m...0................./s1.
What are the key properties of 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide?
3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide has a molecular weight of 4420.87 g/mol, XLogP of 36.32, 65 rotatable bonds, 32 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(azetidin-1-yl)ethenyl]-N-methylaniline;N-tert-butyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N,N-diethyl-3-(methylamino)benzamide;N,1-diethyl-4-(methylamino)pyrrole-2-carboxamide;3-(dimethylamino)-N-methylbenzamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N-(2,2-dimethylpropyl)-3-(methylamino)benzamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-ethyl-N-(2-hydroxyethyl)-3-(methylamino)benzamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;N-ethyl-2-methyl-5-(methylamino)benzamide;(2-ethylpiperidin-1-yl)-[3-(methylamino)phenyl]methanone;N-(furan-2-ylmethyl)-N-methyl-3-(methylamino)benzamide;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide;3-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;3-(methylamino)-N-(oxan-2-ylmethyl)benzamide;3-(methylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;N-methyl-3-(methylamino)benzamide is sourced from PubChem (CID 157323252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).