(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide

C20H25NO — CID 40591277

IUPAC(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C[C@H](C)c1ccccc1
InChIInChI=1S/C20H25NO/c1-16(19-11-7-4-8-12-19)15-20(22)21-17(2)13-14-18-9-5-3-6-10-18/h3-12,16-17H,13-15H2,1-2H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyDBZJGQXPYGNZGH-DLBZAZTESA-N
MW295.43 g/mol
LogP4.32
Rot. Bonds7

About (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide

(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide (PubChem CID 40591277) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide.

Molecular Properties

Compound Name(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
PubChem CID40591277
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C[C@H](C)c1ccccc1
InChIInChI=1S/C20H25NO/c1-16(19-11-7-4-8-12-19)15-20(22)21-17(2)13-14-18-9-5-3-6-10-18/h3-12,16-17H,13-15H2,1-2H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyDBZJGQXPYGNZGH-DLBZAZTESA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7516085
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7324001
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide
CID 110624490
(3R)-3-(3-hydroxy-4,5-dimethylphenyl)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7453278

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The IUPAC name of (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide (CID 40591277) is (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide.
What is the SMILES notation for (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The canonical SMILES for (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide is C[C@H](CCc1ccccc1)NC(=O)C[C@H](C)c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The InChIKey is DBZJGQXPYGNZGH-DLBZAZTESA-N. The full InChI is InChI=1S/C20H25NO/c1-16(19-11-7-4-8-12-19)15-20(22)21-17(2)13-14-18-9-5-3-6-10-18/h3-12,16-17H,13-15H2,1-2H3,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide?
(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide has a molecular weight of 295.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide is sourced from PubChem (CID 40591277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).