3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide

C18H22N2O — CID 81363517

IUPAC3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
SMILESCc1ccccc1[C@@H](C)NC(=O)C(CN)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13-8-6-7-11-16(13)14(2)20-18(21)17(12-19)15-9-4-3-5-10-15/h3-11,14,17H,12,19H2,1-2H3,(H,20,21)/t14-,17?/m1/s1
InChIKeyNAEWWRBRARRCPY-XPCCGILXSA-N
MW282.39 g/mol
LogP2.91
Rot. Bonds5

About 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide

3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide (PubChem CID 81363517) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
PubChem CID81363517
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
SMILESCc1ccccc1[C@@H](C)NC(=O)C(CN)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13-8-6-7-11-16(13)14(2)20-18(21)17(12-19)15-9-4-3-5-10-15/h3-11,14,17H,12,19H2,1-2H3,(H,20,21)/t14-,17?/m1/s1
InChIKeyNAEWWRBRARRCPY-XPCCGILXSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124689942
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
CID 122157159
(2R)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124695556
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
CID 107472507
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81374264
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide
CID 17327188
(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide
CID 124683704
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-phenylpropanamide
CID 106388389

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide (CID 81363517) is 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide is Cc1ccccc1[C@@H](C)NC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide?
The InChIKey is NAEWWRBRARRCPY-XPCCGILXSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-8-6-7-11-16(13)14(2)20-18(21)17(12-19)15-9-4-3-5-10-15/h3-11,14,17H,12,19H2,1-2H3,(H,20,21)/t14-,17?/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide?
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 81363517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).