N,2,3-trimethyl-5-oxoheptanamide

C10H19NO2 — CID 87683291

IUPACN,2,3-trimethyl-5-oxoheptanamide
SMILESCCC(=O)CC(C)C(C)C(=O)NC
InChIInChI=1S/C10H19NO2/c1-5-9(12)6-7(2)8(3)10(13)11-4/h7-8H,5-6H2,1-4H3,(H,11,13)
InChIKeyDJQPZOLWVWNGJA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.37
Rot. Bonds5

About N,2,3-trimethyl-5-oxoheptanamide

N,2,3-trimethyl-5-oxoheptanamide (PubChem CID 87683291) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N,2,3-trimethyl-5-oxoheptanamide.

Molecular Properties

Compound NameN,2,3-trimethyl-5-oxoheptanamide
PubChem CID87683291
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN,2,3-trimethyl-5-oxoheptanamide
SMILESCCC(=O)CC(C)C(C)C(=O)NC
InChIInChI=1S/C10H19NO2/c1-5-9(12)6-7(2)8(3)10(13)11-4/h7-8H,5-6H2,1-4H3,(H,11,13)
InChIKeyDJQPZOLWVWNGJA-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2,3-trimethyl-5-oxoheptanamide 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

5-methylnonane-3,7-dione
CID 58421184
N,2-dimethyl-3-oxopentanamide
CID 55299421
(5R)-5-methylheptan-3-one
CID 6566014
N,2-dimethyl-3-[methyl(2-oxobutyl)amino]propanamide
CID 106916646
3-(methylamino)heptane-2,5-dione
CID 121263911
4-methyloctane-3,6-dione
CID 14711976
methyl (2R,3S)-3-methyl-5-oxo-2-[(E)-prop-1-enyl]heptanoate
CID 101229604
2-bromo-4-oxohexanoic acid
CID 150980972
ditert-butyl 2-(4-oxohexan-2-yl)propanedioate
CID 10686746
4-(methylamino)-4-oxo-3-(propanoylamino)butanoic acid
CID 23556652
N,2,4,4-tetramethylhexanamide
CID 177059131
ethane;7-methyloctan-3-one
CID 142816942

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-5-oxoheptanamide?
The IUPAC name of N,2,3-trimethyl-5-oxoheptanamide (CID 87683291) is N,2,3-trimethyl-5-oxoheptanamide.
What is the SMILES notation for N,2,3-trimethyl-5-oxoheptanamide?
The canonical SMILES for N,2,3-trimethyl-5-oxoheptanamide is CCC(=O)CC(C)C(C)C(=O)NC.
What is the InChIKey of N,2,3-trimethyl-5-oxoheptanamide?
The InChIKey is DJQPZOLWVWNGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(12)6-7(2)8(3)10(13)11-4/h7-8H,5-6H2,1-4H3,(H,11,13).
What are the key properties of N,2,3-trimethyl-5-oxoheptanamide?
N,2,3-trimethyl-5-oxoheptanamide has a molecular weight of 185.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-5-oxoheptanamide is sourced from PubChem (CID 87683291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).