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

C9H17NO2 — CID 89131708

IUPACN-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
SMILESCCC(=O)[C@@H](NC(C)=O)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(12)9(6(2)3)10-7(4)11/h6,9H,5H2,1-4H3,(H,10,11)/t9-/m0/s1
InChIKeySYSLLCFYOOJASQ-VIFPVBQESA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds4

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

N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide (PubChem CID 89131708) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
PubChem CID89131708
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
SMILESCCC(=O)[C@@H](NC(C)=O)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(12)9(6(2)3)10-7(4)11/h6,9H,5H2,1-4H3,(H,10,11)/t9-/m0/s1
InChIKeySYSLLCFYOOJASQ-VIFPVBQESA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 88887792
(E)-3-methyl-N-(2-methyl-4-oxohexan-3-yl)pent-2-enamide
CID 121464223
(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
CID 155089118
ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
CID 90967587
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
2-acetamido-N,N-diethyl-3-methylbutanamide
CID 60635909
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
N-(2-methyl-4-oxohexan-3-yl)methanesulfonamide
CID 89004516
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 79252016

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide?
The IUPAC name of N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide (CID 89131708) is N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide?
The canonical SMILES for N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide is CCC(=O)[C@@H](NC(C)=O)C(C)C.
What is the InChIKey of N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide?
The InChIKey is SYSLLCFYOOJASQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-8(12)9(6(2)3)10-7(4)11/h6,9H,5H2,1-4H3,(H,10,11)/t9-/m0/s1.
What are the key properties of N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide?
N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide is sourced from PubChem (CID 89131708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).