N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide

C16H31NO2 — CID 158440925

IUPACN-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H](C(C)=O)C(C)C
InChIInChI=1S/C16H31NO2/c1-5-6-7-8-9-10-11-12-15(19)17-16(13(2)3)14(4)18/h13,16H,5-12H2,1-4H3,(H,17,19)/t16-/m0/s1
InChIKeyJPQBYPGIVGNMFC-INIZCTEOSA-N
MW269.43 g/mol
LogP3.86
Rot. Bonds11

About N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide

N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide (PubChem CID 158440925) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide.

Molecular Properties

Compound NameN-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
PubChem CID158440925
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H](C(C)=O)C(C)C
InChIInChI=1S/C16H31NO2/c1-5-6-7-8-9-10-11-12-15(19)17-16(13(2)3)14(4)18/h13,16H,5-12H2,1-4H3,(H,17,19)/t16-/m0/s1
InChIKeyJPQBYPGIVGNMFC-INIZCTEOSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide 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

2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
CID 174755034
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)dodecanamide
CID 65448032
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
CID 65450288
N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide
CID 171520136
N-[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]dodecanamide
CID 15610303
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
CID 90103155
N-pentan-2-ylundecanamide
CID 173258559

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide?
The IUPAC name of N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide (CID 158440925) is N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide.
What is the SMILES notation for N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide?
The canonical SMILES for N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide is CCCCCCCCCC(=O)N[C@H](C(C)=O)C(C)C.
What is the InChIKey of N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide?
The InChIKey is JPQBYPGIVGNMFC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-6-7-8-9-10-11-12-15(19)17-16(13(2)3)14(4)18/h13,16H,5-12H2,1-4H3,(H,17,19)/t16-/m0/s1.
What are the key properties of N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide?
N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide has a molecular weight of 269.43 g/mol, XLogP of 3.86, 11 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-oxopentan-3-yl]decanamide is sourced from PubChem (CID 158440925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).