(3S)-3-phenyl-N-(4-phenylphenyl)butanamide

C22H21NO — CID 7925945

IUPAC(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
SMILESC[C@@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(18-8-4-2-5-9-18)16-22(24)23-21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyVZDMXUYCGPSFRV-KRWDZBQOSA-N
MW315.42 g/mol
LogP5.49
Rot. Bonds5

About (3S)-3-phenyl-N-(4-phenylphenyl)butanamide

(3S)-3-phenyl-N-(4-phenylphenyl)butanamide (PubChem CID 7925945) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S)-3-phenyl-N-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
PubChem CID7925945
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
SMILESC[C@@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(18-8-4-2-5-9-18)16-22(24)23-21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyVZDMXUYCGPSFRV-KRWDZBQOSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
CID 11359314
1,1'-biphenyl;N-methoxy-3-phenylbutanamide
CID 144913601
(3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate
CID 7189553
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-N-(4-phenylphenyl)butanamide?
The IUPAC name of (3S)-3-phenyl-N-(4-phenylphenyl)butanamide (CID 7925945) is (3S)-3-phenyl-N-(4-phenylphenyl)butanamide.
What is the SMILES notation for (3S)-3-phenyl-N-(4-phenylphenyl)butanamide?
The canonical SMILES for (3S)-3-phenyl-N-(4-phenylphenyl)butanamide is C[C@@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-N-(4-phenylphenyl)butanamide?
The InChIKey is VZDMXUYCGPSFRV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21NO/c1-17(18-8-4-2-5-9-18)16-22(24)23-21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (3S)-3-phenyl-N-(4-phenylphenyl)butanamide?
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide has a molecular weight of 315.42 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-N-(4-phenylphenyl)butanamide is sourced from PubChem (CID 7925945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).