(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide

C20H26N2O — CID 8645970

IUPAC(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
SMILESCC(C)C[C@H](N[C@@H](C)C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)14-19(17-10-6-4-7-11-17)21-16(3)20(23)22-18-12-8-5-9-13-18/h4-13,15-16,19,21H,14H2,1-3H3,(H,22,23)/t16-,19-/m0/s1
InChIKeyIQPKYXSTPREOMX-LPHOPBHVSA-N
MW310.44 g/mol
LogP4.39
Rot. Bonds7

About (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide

(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide (PubChem CID 8645970) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
PubChem CID8645970
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
SMILESCC(C)C[C@H](N[C@@H](C)C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)14-19(17-10-6-4-7-11-17)21-16(3)20(23)22-18-12-8-5-9-13-18/h4-13,15-16,19,21H,14H2,1-3H3,(H,22,23)/t16-,19-/m0/s1
InChIKeyIQPKYXSTPREOMX-LPHOPBHVSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25483087
(2S)-N-(4-fluoro-3-nitrophenyl)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]propanamide
CID 8645952
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-3-methyl-1-phenylbutyl]amino]propanamide
CID 8646005
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
CID 113457786
N-[4-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824761
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
4-methyl-N-phenyl-2-sulfanylpentanamide
CID 162738947
2-(pentan-2-ylamino)-N-phenylpropanamide
CID 43083650
1-[(1S)-3-methyl-1-phenylbutyl]-3-phenylthiourea
CID 92679253
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
CID 79248901
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide (CID 8645970) is (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide is CC(C)C[C@H](N[C@@H](C)C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide?
The InChIKey is IQPKYXSTPREOMX-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)14-19(17-10-6-4-7-11-17)21-16(3)20(23)22-18-12-8-5-9-13-18/h4-13,15-16,19,21H,14H2,1-3H3,(H,22,23)/t16-,19-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide?
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 8645970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).