(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide

C19H23ClN2O — CID 99815635

IUPAC(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNC[C@H](C)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-14(13-21-2)19(23)22-18(15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)20/h3-11,14,18,21H,12-13H2,1-2H3,(H,22,23)/t14-,18+/m0/s1
InChIKeyYALGCBFDAKOAOC-KBXCAEBGSA-N
MW330.86 g/mol
LogP3.60
Rot. Bonds7

About (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide

(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 99815635) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID99815635
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNC[C@H](C)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-14(13-21-2)19(23)22-18(15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)20/h3-11,14,18,21H,12-13H2,1-2H3,(H,22,23)/t14-,18+/m0/s1
InChIKeyYALGCBFDAKOAOC-KBXCAEBGSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257
4-[[2-methyl-3-(methylamino)propanoyl]amino]-4-phenylbutanoic acid
CID 79203169
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724674
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide
CID 119740356
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119774350
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718
4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide (CID 99815635) is (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide is CNC[C@H](C)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is YALGCBFDAKOAOC-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14(13-21-2)19(23)22-18(15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)20/h3-11,14,18,21H,12-13H2,1-2H3,(H,22,23)/t14-,18+/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide?
(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 330.86 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 99815635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).