(2R)-N-(4-methylphenyl)-2-phenylbutanamide

C17H19NO — CID 835806

IUPAC(2R)-N-(4-methylphenyl)-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-16(14-7-5-4-6-8-14)17(19)18-15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyAQCRFYZUUVTQLB-MRXNPFEDSA-N
MW253.34 g/mol
LogP4.13
Rot. Bonds4

About (2R)-N-(4-methylphenyl)-2-phenylbutanamide

(2R)-N-(4-methylphenyl)-2-phenylbutanamide (PubChem CID 835806) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-phenylbutanamide
PubChem CID835806
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(2R)-N-(4-methylphenyl)-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-16(14-7-5-4-6-8-14)17(19)18-15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyAQCRFYZUUVTQLB-MRXNPFEDSA-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,2-bis(4-methylphenyl)butanamide
CID 2750915
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
CID 6955755
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
CID 123214374
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-phenylbutanamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-phenylbutanamide (CID 835806) is (2R)-N-(4-methylphenyl)-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-phenylbutanamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-phenylbutanamide is CC[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-phenylbutanamide?
The InChIKey is AQCRFYZUUVTQLB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-16(14-7-5-4-6-8-14)17(19)18-15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-phenylbutanamide?
(2R)-N-(4-methylphenyl)-2-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 (2R)-N-(4-methylphenyl)-2-phenylbutanamide is sourced from PubChem (CID 835806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).