N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid

C179H262ClF3N20O17 — CID 157193720

IUPACN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid
SMILESCC(C)C(=O)N(C)C1CCCc2ccncc21.CC(C)C(=O)N(C)C1CCN(Cc2cccc(Cl)c2)CC1.CC(C)C(=O)N(C)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.CC(C)C(=O)N(C)[C@@H]1CCCc2ccncc21.CC(C)C(=O)N(C)[C@H]1CCCc2ccncc21.CC(C)C(=O)N[C@H](C(=O)O)c1ccccc1.CCN1CCC(CN(C)C(=O)C(C)C)CC1.COc1cccc2c1CCCC2N(C)C(=O)C(C)C.COc1cccc2c1CCC[C@@H]2N(C)C(=O)C(C)C.COc1cccc2c1CCC[C@H]2N(C)C(=O)C(C)C.Cc1ccc2c(c1)[C@@H](N(C)C(=O)C(C)C)CCC2.Cc1ccc2c(c1)[C@H](N(C)C(=O)C(C)C)CCC2
InChIInChI=1S/C17H25ClN2O.3C16H23NO2.2C16H23NO.C15H21F3N4O.3C14H20N2O.C13H26N2O.C12H15NO3/c1-13(2)17(21)19(3)16-7-9-20(10-8-16)12-14-5-4-6-15(18)11-14;3*1-11(2)16(18)17(3)14-9-5-8-13-12(14)7-6-10-15(13)19-4;2*1-11(2)16(18)17(4)15-7-5-6-13-9-8-12(3)10-14(13)15;1-10(2)14(23)21(3)11-4-6-22(7-5-11)13-8-12(15(16,17)18)19-9-20-13;3*1-10(2)14(17)16(3)13-6-4-5-11-7-8-15-9-12(11)13;1-5-15-8-6-12(7-9-15)10-14(4)13(16)11(2)3;1-8(2)11(14)13-10(12(15)16)9-6-4-3-5-7-9/h4-6,11,13,16H,7-10,12H2,1-3H3;3*6-7,10-11,14H,5,8-9H2,1-4H3;2*8-11,15H,5-7H2,1-4H3;8-11H,4-7H2,1-3H3;3*7-10,13H,4-6H2,1-3H3;11-12H,5-10H2,1-4H3;3-8,10H,1-2H3,(H,13,14)(H,15,16)/t;2*14-;;2*15-;;2*13-;;;10-/m.10.10.10..0/s1
InChIKeyAPZOHAJNIYKRLW-HKLOYDLVSA-N
MW3058.63 g/mol
LogP33.67
Rot. Bonds34

About N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid

N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid (PubChem CID 157193720) has the molecular formula C179H262ClF3N20O17 and a molecular weight of 3058.63 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid
PubChem CID157193720
Molecular FormulaC179H262ClF3N20O17
Molecular Weight3058.63 g/mol
Exact Mass3055.99
IUPAC NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid
SMILESCC(C)C(=O)N(C)C1CCCc2ccncc21.CC(C)C(=O)N(C)C1CCN(Cc2cccc(Cl)c2)CC1.CC(C)C(=O)N(C)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.CC(C)C(=O)N(C)[C@@H]1CCCc2ccncc21.CC(C)C(=O)N(C)[C@H]1CCCc2ccncc21.CC(C)C(=O)N[C@H](C(=O)O)c1ccccc1.CCN1CCC(CN(C)C(=O)C(C)C)CC1.COc1cccc2c1CCCC2N(C)C(=O)C(C)C.COc1cccc2c1CCC[C@@H]2N(C)C(=O)C(C)C.COc1cccc2c1CCC[C@H]2N(C)C(=O)C(C)C.Cc1ccc2c(c1)[C@@H](N(C)C(=O)C(C)C)CCC2.Cc1ccc2c(c1)[C@H](N(C)C(=O)C(C)C)CCC2
InChIInChI=1S/C17H25ClN2O.3C16H23NO2.2C16H23NO.C15H21F3N4O.3C14H20N2O.C13H26N2O.C12H15NO3/c1-13(2)17(21)19(3)16-7-9-20(10-8-16)12-14-5-4-6-15(18)11-14;3*1-11(2)16(18)17(3)14-9-5-8-13-12(14)7-6-10-15(13)19-4;2*1-11(2)16(18)17(4)15-7-5-6-13-9-8-12(3)10-14(13)15;1-10(2)14(23)21(3)11-4-6-22(7-5-11)13-8-12(15(16,17)18)19-9-20-13;3*1-10(2)14(17)16(3)13-6-4-5-11-7-8-15-9-12(11)13;1-5-15-8-6-12(7-9-15)10-14(4)13(16)11(2)3;1-8(2)11(14)13-10(12(15)16)9-6-4-3-5-7-9/h4-6,11,13,16H,7-10,12H2,1-3H3;3*6-7,10-11,14H,5,8-9H2,1-4H3;2*8-11,15H,5-7H2,1-4H3;8-11H,4-7H2,1-3H3;3*7-10,13H,4-6H2,1-3H3;11-12H,5-10H2,1-4H3;3-8,10H,1-2H3,(H,13,14)(H,15,16)/t;2*14-;;2*15-;;2*13-;;;10-/m.10.10.10..0/s1
InChIKeyAPZOHAJNIYKRLW-HKLOYDLVSA-N
XLogP33.67
TPSA391.67 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003058.63
LogP ≤ 533.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid (CID 157193720) is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid is CC(C)C(=O)N(C)C1CCCc2ccncc21.CC(C)C(=O)N(C)C1CCN(Cc2cccc(Cl)c2)CC1.CC(C)C(=O)N(C)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.CC(C)C(=O)N(C)[C@@H]1CCCc2ccncc21.CC(C)C(=O)N(C)[C@H]1CCCc2ccncc21.CC(C)C(=O)N[C@H](C(=O)O)c1ccccc1.CCN1CCC(CN(C)C(=O)C(C)C)CC1.COc1cccc2c1CCCC2N(C)C(=O)C(C)C.COc1cccc2c1CCC[C@@H]2N(C)C(=O)C(C)C.COc1cccc2c1CCC[C@H]2N(C)C(=O)C(C)C.Cc1ccc2c(c1)[C@@H](N(C)C(=O)C(C)C)CCC2.Cc1ccc2c(c1)[C@H](N(C)C(=O)C(C)C)CCC2.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid?
The InChIKey is APZOHAJNIYKRLW-HKLOYDLVSA-N. The full InChI is InChI=1S/C17H25ClN2O.3C16H23NO2.2C16H23NO.C15H21F3N4O.3C14H20N2O.C13H26N2O.C12H15NO3/c1-13(2)17(21)19(3)16-7-9-20(10-8-16)12-14-5-4-6-15(18)11-14;3*1-11(2)16(18)17(3)14-9-5-8-13-12(14)7-6-10-15(13)19-4;2*1-11(2)16(18)17(4)15-7-5-6-13-9-8-12(3)10-14(13)15;1-10(2)14(23)21(3)11-4-6-22(7-5-11)13-8-12(15(16,17)18)19-9-20-13;3*1-10(2)14(17)16(3)13-6-4-5-11-7-8-15-9-12(11)13;1-5-15-8-6-12(7-9-15)10-14(4)13(16)11(2)3;1-8(2)11(14)13-10(12(15)16)9-6-4-3-5-7-9/h4-6,11,13,16H,7-10,12H2,1-3H3;3*6-7,10-11,14H,5,8-9H2,1-4H3;2*8-11,15H,5-7H2,1-4H3;8-11H,4-7H2,1-3H3;3*7-10,13H,4-6H2,1-3H3;11-12H,5-10H2,1-4H3;3-8,10H,1-2H3,(H,13,14)(H,15,16)/t;2*14-;;2*15-;;2*13-;;;10-/m.10.10.10..0/s1.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid?
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid has a molecular weight of 3058.63 g/mol, XLogP of 33.67, 34 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid is sourced from PubChem (CID 157193720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).