(3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide

C19H21NO2 — CID 7026735

IUPAC(3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide
SMILESCC(=O)C[C@@H](CC(=O)Nc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-14-8-6-7-11-18(14)20-19(22)13-17(12-15(2)21)16-9-4-3-5-10-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyOESMIWNQKMNNJS-KRWDZBQOSA-N
MW295.38 g/mol
LogP4.09
Rot. Bonds6

About (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide

(3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide (PubChem CID 7026735) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide.

Molecular Properties

Compound Name(3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide
PubChem CID7026735
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide
SMILESCC(=O)C[C@@H](CC(=O)Nc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-14-8-6-7-11-18(14)20-19(22)13-17(12-15(2)21)16-9-4-3-5-10-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyOESMIWNQKMNNJS-KRWDZBQOSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
2-[(2-hydroxy-2-phenylethyl)amino]-N-(2-methylphenyl)acetamide
CID 43389775
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
2-[[(3S)-4-carboxylato-3-phenylbutanoyl]amino]benzoate
CID 7127508
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide?
The IUPAC name of (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide (CID 7026735) is (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide.
What is the SMILES notation for (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide?
The canonical SMILES for (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide is CC(=O)C[C@@H](CC(=O)Nc1ccccc1C)c1ccccc1.
What is the InChIKey of (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide?
The InChIKey is OESMIWNQKMNNJS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-8-6-7-11-18(14)20-19(22)13-17(12-15(2)21)16-9-4-3-5-10-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide?
(3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide has a molecular weight of 295.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide is sourced from PubChem (CID 7026735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).