(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide

C20H25NO — CID 7029038

IUPAC(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C)c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-4-15(3)16-11-13-18(14-12-16)21-20(22)19(5-2)17-9-7-6-8-10-17/h6-15,19H,4-5H2,1-3H3,(H,21,22)/t15-,19+/m1/s1
InChIKeyMPJXOZUFSFXOCY-BEFAXECRSA-N
MW295.43 g/mol
LogP5.33
Rot. Bonds6

About (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide

(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide (PubChem CID 7029038) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
PubChem CID7029038
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C)c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-4-15(3)16-11-13-18(14-12-16)21-20(22)19(5-2)17-9-7-6-8-10-17/h6-15,19H,4-5H2,1-3H3,(H,21,22)/t15-,19+/m1/s1
InChIKeyMPJXOZUFSFXOCY-BEFAXECRSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 43702131
(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 104897241
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 17147291
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
N,2-bis(4-methylphenyl)butanamide
CID 2750915
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide (CID 7029038) is (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide is CC[C@@H](C)c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide?
The InChIKey is MPJXOZUFSFXOCY-BEFAXECRSA-N. The full InChI is InChI=1S/C20H25NO/c1-4-15(3)16-11-13-18(14-12-16)21-20(22)19(5-2)17-9-7-6-8-10-17/h6-15,19H,4-5H2,1-3H3,(H,21,22)/t15-,19+/m1/s1.
What are the key properties of (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide?
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide has a molecular weight of 295.43 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 7029038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).