N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide

C185H260Cl2F3N23O13 — CID 159417657

IUPACN-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide
SMILESCC(=O)NC(C)C.CC(C)N(C)c1ccccc1.CC(C)NC(=O)CCl.CC(C)NC(=O)c1ccc(-c2ccccc2)cc1.CC(C)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1.CC(C)NC(=O)c1ccccc1.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(=O)c1ccncc1.CC(C)NC(C)(C)c1ccccc1.CC(C)NC(C)c1ccccc1.CC(C)NCc1ccccc1.CC(C)Nc1ccccc1.CNC(=O)c1ccc(C)cc1.CNCC(=O)NC(C)C.Cc1ccc(C(N)=O)cc1C(C)C.Cc1cccc(C(=O)NC(C)C)c1.Cc1ccccc1C(=O)NC(C)C.[C-]#[N+]c1ccc(C)c(C(C)C)c1
InChIInChI=1S/C16H17NO.C12H19N.C11H11ClF3NO.3C11H15NO.C11H13N.C11H17N.C10H13NO.2C10H15N.3C9H12N2O.C9H11NO.C9H13N.C6H14N2O.C5H10ClNO.C5H11NO/c1-12(2)17-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-10(2)13-12(3,4)11-8-6-5-7-9-11;1-6(2)16-10(17)7-3-4-9(12)8(5-7)11(13,14)15;1-7(2)10-6-9(11(12)13)5-4-8(10)3;1-8(2)12-11(13)10-6-4-5-9(3)7-10;1-8(2)12-11(13)10-7-5-4-6-9(10)3;1-8(2)11-7-10(12-4)6-5-9(11)3;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)11-10(12)9-6-4-3-5-7-9;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-3-5-10-6-4-8;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-7-3-5-8(6-4-7)9(11)10-2;1-8(2)10-9-6-4-3-5-7-9;1-5(2)8-6(9)4-7-3;1-4(2)7-5(8)3-6;1-4(2)6-5(3)7/h3-12H,1-2H3,(H,17,18);5-10,13H,1-4H3;3-6H,1-2H3,(H,16,17);4-7H,1-3H3,(H2,12,13);2*4-8H,1-3H3,(H,12,13);5-8H,1-3H3;4-10,12H,1-3H3;3-8H,1-2H3,(H,11,12);4-9H,1-3H3;3-7,9,11H,8H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11);3-8,10H,1-2H3;5,7H,4H2,1-3H3,(H,8,9);4H,3H2,1-2H3,(H,7,8);4H,1-3H3,(H,6,7)
InChIKeyLPJBPHMONMXPBF-UHFFFAOYSA-N
MW3142.16 g/mol
LogP37.88
Rot. Bonds40

About N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide

N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide (PubChem CID 159417657) has the molecular formula C185H260Cl2F3N23O13 and a molecular weight of 3142.16 g/mol. Its IUPAC name is N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide
PubChem CID159417657
Molecular FormulaC185H260Cl2F3N23O13
Molecular Weight3142.16 g/mol
Exact Mass3138.97
IUPAC NameN-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide
SMILESCC(=O)NC(C)C.CC(C)N(C)c1ccccc1.CC(C)NC(=O)CCl.CC(C)NC(=O)c1ccc(-c2ccccc2)cc1.CC(C)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1.CC(C)NC(=O)c1ccccc1.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(=O)c1ccncc1.CC(C)NC(C)(C)c1ccccc1.CC(C)NC(C)c1ccccc1.CC(C)NCc1ccccc1.CC(C)Nc1ccccc1.CNC(=O)c1ccc(C)cc1.CNCC(=O)NC(C)C.Cc1ccc(C(N)=O)cc1C(C)C.Cc1cccc(C(=O)NC(C)C)c1.Cc1ccccc1C(=O)NC(C)C.[C-]#[N+]c1ccc(C)c(C(C)C)c1
InChIInChI=1S/C16H17NO.C12H19N.C11H11ClF3NO.3C11H15NO.C11H13N.C11H17N.C10H13NO.2C10H15N.3C9H12N2O.C9H11NO.C9H13N.C6H14N2O.C5H10ClNO.C5H11NO/c1-12(2)17-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-10(2)13-12(3,4)11-8-6-5-7-9-11;1-6(2)16-10(17)7-3-4-9(12)8(5-7)11(13,14)15;1-7(2)10-6-9(11(12)13)5-4-8(10)3;1-8(2)12-11(13)10-6-4-5-9(3)7-10;1-8(2)12-11(13)10-7-5-4-6-9(10)3;1-8(2)11-7-10(12-4)6-5-9(11)3;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)11-10(12)9-6-4-3-5-7-9;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-3-5-10-6-4-8;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-7-3-5-8(6-4-7)9(11)10-2;1-8(2)10-9-6-4-3-5-7-9;1-5(2)8-6(9)4-7-3;1-4(2)7-5(8)3-6;1-4(2)6-5(3)7/h3-12H,1-2H3,(H,17,18);5-10,13H,1-4H3;3-6H,1-2H3,(H,16,17);4-7H,1-3H3,(H2,12,13);2*4-8H,1-3H3,(H,12,13);5-8H,1-3H3;4-10,12H,1-3H3;3-8H,1-2H3,(H,11,12);4-9H,1-3H3;3-7,9,11H,8H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11);3-8,10H,1-2H3;5,7H,4H2,1-3H3,(H,8,9);4H,3H2,1-2H3,(H,7,8);4H,1-3H3,(H,6,7)
InChIKeyLPJBPHMONMXPBF-UHFFFAOYSA-N
XLogP37.88
TPSA498.71 Ų
H-Bond Donors18
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003142.16
LogP ≤ 537.88
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123232907
N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123620591
N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline
CID 157476737
3-[8-[[1-(2,6-Dichloropyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(6-fluoropyridine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;3-[8-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 157563166
(4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide
CID 158126351
N-[2-[[(2S)-1-amino-3-[(2,4-dimethylphenyl)methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;4-[[2-(4-chlorophenyl)ethyl-[1-(1-oxidopyridin-1-ium-2-carbonyl)piperidin-4-yl]amino]methyl]-2-(4-fluorophenyl)-1,5-dimethylpyrazol-3-one;4-[[[1-(2,6-difluorobenzoyl)piperidin-4-yl]-[2-(4-methylphenyl)ethyl]amino]methyl]-2-(4-fluorophenyl)-1,5-dimethylpyrazol-3-one;molecular hydrogen
CID 158397515
N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide
CID 161105109
N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline
CID 161207297
N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline
CID 161524464
(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-(4-chlorophenyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]propanamide;(3S)-3-(4-chlorophenyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]propanamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-2-ylhexanoyl]amino]propyl]-N,3,5-trimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-2-ylhexanoyl]amino]propyl]-N,3,5-trimethylbenzamide
CID 167584054
(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-(4-chlorophenyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]propanamide;(3S)-3-(4-chlorophenyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]propanamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-pyridin-2-ylhexanoyl]amino]propyl]-N,3,5-trimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-5-methyl-3-pyridin-2-ylhexanoyl]amino]propyl]-N,3,5-trimethylbenzamide
CID 167670578
5-[[2-(4-aminobutanoylamino)ethylamino]methyl]-N-[3-[2-chloro-3-[[5-[(3,3-difluoropiperidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]pyridine-2-carboxamide
CID 172365832

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide (CID 159417657) is N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide is CC(=O)NC(C)C.CC(C)N(C)c1ccccc1.CC(C)NC(=O)CCl.CC(C)NC(=O)c1ccc(-c2ccccc2)cc1.CC(C)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1.CC(C)NC(=O)c1ccccc1.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(=O)c1ccncc1.CC(C)NC(C)(C)c1ccccc1.CC(C)NC(C)c1ccccc1.CC(C)NCc1ccccc1.CC(C)Nc1ccccc1.CNC(=O)c1ccc(C)cc1.CNCC(=O)NC(C)C.Cc1ccc(C(N)=O)cc1C(C)C.Cc1cccc(C(=O)NC(C)C)c1.Cc1ccccc1C(=O)NC(C)C.[C-]#[N+]c1ccc(C)c(C(C)C)c1.
What is the InChIKey of N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is LPJBPHMONMXPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C12H19N.C11H11ClF3NO.3C11H15NO.C11H13N.C11H17N.C10H13NO.2C10H15N.3C9H12N2O.C9H11NO.C9H13N.C6H14N2O.C5H10ClNO.C5H11NO/c1-12(2)17-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-10(2)13-12(3,4)11-8-6-5-7-9-11;1-6(2)16-10(17)7-3-4-9(12)8(5-7)11(13,14)15;1-7(2)10-6-9(11(12)13)5-4-8(10)3;1-8(2)12-11(13)10-6-4-5-9(3)7-10;1-8(2)12-11(13)10-7-5-4-6-9(10)3;1-8(2)11-7-10(12-4)6-5-9(11)3;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)11-10(12)9-6-4-3-5-7-9;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-3-5-10-6-4-8;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-7-3-5-8(6-4-7)9(11)10-2;1-8(2)10-9-6-4-3-5-7-9;1-5(2)8-6(9)4-7-3;1-4(2)7-5(8)3-6;1-4(2)6-5(3)7/h3-12H,1-2H3,(H,17,18);5-10,13H,1-4H3;3-6H,1-2H3,(H,16,17);4-7H,1-3H3,(H2,12,13);2*4-8H,1-3H3,(H,12,13);5-8H,1-3H3;4-10,12H,1-3H3;3-8H,1-2H3,(H,11,12);4-9H,1-3H3;3-7,9,11H,8H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11);3-8,10H,1-2H3;5,7H,4H2,1-3H3,(H,8,9);4H,3H2,1-2H3,(H,7,8);4H,1-3H3,(H,6,7).
What are the key properties of N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide?
N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 3142.16 g/mol, XLogP of 37.88, 40 rotatable bonds, 18 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;N,4-dimethylbenzamide;4-isocyano-1-methyl-2-propan-2-ylbenzene;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-3-propan-2-ylbenzamide;N-(1-phenylethyl)propan-2-amine;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 159417657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).