(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide

C18H22N2O — CID 122368237

IUPAC(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
SMILESCc1ccc([C@@H](N)CC(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-13-8-10-16(11-9-13)17(19)12-18(21)20-14(2)15-6-4-3-5-7-15/h3-11,14,17H,12,19H2,1-2H3,(H,20,21)/t14-,17+/m1/s1
InChIKeyBKLRSMAUXFLCKC-PBHICJAKSA-N
MW282.39 g/mol
LogP3.26
Rot. Bonds5

About (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide

(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 122368237) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
PubChem CID122368237
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
SMILESCc1ccc([C@@H](N)CC(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-13-8-10-16(11-9-13)17(19)12-18(21)20-14(2)15-6-4-3-5-7-15/h3-11,14,17H,12,19H2,1-2H3,(H,20,21)/t14-,17+/m1/s1
InChIKeyBKLRSMAUXFLCKC-PBHICJAKSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023
3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81375536
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408213
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide (CID 122368237) is (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide is Cc1ccc([C@@H](N)CC(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is BKLRSMAUXFLCKC-PBHICJAKSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-8-10-16(11-9-13)17(19)12-18(21)20-14(2)15-6-4-3-5-7-15/h3-11,14,17H,12,19H2,1-2H3,(H,20,21)/t14-,17+/m1/s1.
What are the key properties of (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide?
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 122368237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).