(3R)-N-(2-methylphenyl)-3-phenylbutanamide

C17H19NO — CID 7946569

IUPAC(3R)-N-(2-methylphenyl)-3-phenylbutanamide
SMILESCc1ccccc1NC(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C17H19NO/c1-13-8-6-7-11-16(13)18-17(19)12-14(2)15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyZWJLVBKUSWCTFB-CQSZACIVSA-N
MW253.34 g/mol
LogP4.13
Rot. Bonds4

About (3R)-N-(2-methylphenyl)-3-phenylbutanamide

(3R)-N-(2-methylphenyl)-3-phenylbutanamide (PubChem CID 7946569) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (3R)-N-(2-methylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-(2-methylphenyl)-3-phenylbutanamide
PubChem CID7946569
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(3R)-N-(2-methylphenyl)-3-phenylbutanamide
SMILESCc1ccccc1NC(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C17H19NO/c1-13-8-6-7-11-16(13)18-17(19)12-14(2)15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyZWJLVBKUSWCTFB-CQSZACIVSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
(3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide
CID 7026735
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
CID 51942532
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylphenyl)-3-phenylbutanamide?
The IUPAC name of (3R)-N-(2-methylphenyl)-3-phenylbutanamide (CID 7946569) is (3R)-N-(2-methylphenyl)-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-(2-methylphenyl)-3-phenylbutanamide?
The canonical SMILES for (3R)-N-(2-methylphenyl)-3-phenylbutanamide is Cc1ccccc1NC(=O)C[C@@H](C)c1ccccc1.
What is the InChIKey of (3R)-N-(2-methylphenyl)-3-phenylbutanamide?
The InChIKey is ZWJLVBKUSWCTFB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-8-6-7-11-16(13)18-17(19)12-14(2)15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-N-(2-methylphenyl)-3-phenylbutanamide?
(3R)-N-(2-methylphenyl)-3-phenylbutanamide has a molecular weight of 253.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 7946569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).