N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide

C15H21NO2 — CID 142272492

IUPACN-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide
SMILESCC[C@H](C)C(NC(=O)Cc1ccccc1)C(C)=O
InChIInChI=1S/C15H21NO2/c1-4-11(2)15(12(3)17)16-14(18)10-13-8-6-5-7-9-13/h5-9,11,15H,4,10H2,1-3H3,(H,16,18)/t11-,15?/m0/s1
InChIKeyAUSBPPUUGWBJNT-VPHXOMNUSA-N
MW247.34 g/mol
LogP2.35
Rot. Bonds6

About N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide

N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide (PubChem CID 142272492) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide
PubChem CID142272492
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide
SMILESCC[C@H](C)C(NC(=O)Cc1ccccc1)C(C)=O
InChIInChI=1S/C15H21NO2/c1-4-11(2)15(12(3)17)16-14(18)10-13-8-6-5-7-9-13/h5-9,11,15H,4,10H2,1-3H3,(H,16,18)/t11-,15?/m0/s1
InChIKeyAUSBPPUUGWBJNT-VPHXOMNUSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid
CID 119211861
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenylacetamide
CID 76725466
2-methyl-4-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 4539298
(2S)-2-amino-N-[(2S)-1-[[(3S,4S)-4-methyl-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-pyridin-4-ylpropanamide
CID 169180597
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-(1-methoxy-2-methylpropyl)-2-phenylacetamide
CID 58769252
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
(4-acetamidophenyl) 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 51152582

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide (CID 142272492) is N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide is CC[C@H](C)C(NC(=O)Cc1ccccc1)C(C)=O.
What is the InChIKey of N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide?
The InChIKey is AUSBPPUUGWBJNT-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-11(2)15(12(3)17)16-14(18)10-13-8-6-5-7-9-13/h5-9,11,15H,4,10H2,1-3H3,(H,16,18)/t11-,15?/m0/s1.
What are the key properties of N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide?
N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide has a molecular weight of 247.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide is sourced from PubChem (CID 142272492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).