(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide

C19H23NO — CID 803292

IUPAC(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-4-18(16-8-6-5-7-9-16)19(21)20-17-12-10-15(11-13-17)14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyZXBNGZTYJNVTQS-SFHVURJKSA-N
MW281.40 g/mol
LogP4.94
Rot. Bonds5

About (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide

(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 803292) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
PubChem CID803292
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-4-18(16-8-6-5-7-9-16)19(21)20-17-12-10-15(11-13-17)14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyZXBNGZTYJNVTQS-SFHVURJKSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
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
2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 17147291
N,2-bis(4-methylphenyl)butanamide
CID 2750915
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
CID 4173058

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide (CID 803292) is (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide is CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is ZXBNGZTYJNVTQS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-18(16-8-6-5-7-9-16)19(21)20-17-12-10-15(11-13-17)14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide?
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 281.40 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 803292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).