N,N,4,4-tetramethyl-2-oxopentanamide

C9H17NO2 — CID 158996927

IUPACN,N,4,4-tetramethyl-2-oxopentanamide
SMILESCN(C)C(=O)C(=O)CC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)6-7(11)8(12)10(4)5/h6H2,1-5H3
InChIKeyRJCNBPVNAURHKR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds2

About N,N,4,4-tetramethyl-2-oxopentanamide

N,N,4,4-tetramethyl-2-oxopentanamide (PubChem CID 158996927) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N,4,4-tetramethyl-2-oxopentanamide.

Molecular Properties

Compound NameN,N,4,4-tetramethyl-2-oxopentanamide
PubChem CID158996927
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,N,4,4-tetramethyl-2-oxopentanamide
SMILESCN(C)C(=O)C(=O)CC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)6-7(11)8(12)10(4)5/h6H2,1-5H3
InChIKeyRJCNBPVNAURHKR-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N,4,4-tetramethyl-2-oxopentanamide 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-[(dimethylamino)methyl]-5,5-dimethylhex-1-en-3-one
CID 121355058
tert-butyl 5-(dimethylamino)-4,5-dioxopentanoate
CID 158207133
hexadecakis(3,3-dimethylbutanoate);tetrakis(hafnium(4+))
CID 139142532
N-ethyl-N,3,3-trimethylbutanamide
CID 89107590
2,6,6-trimethyl-3-methylidenehept-1-en-4-one
CID 169195899
N-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 155425429
3,3-diiodo-N,N-dimethyl-2-oxobutanamide
CID 155470286
N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
CID 89417425
3,3-dimethylbutanoic acid;yttrium
CID 59798482
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3,3-dimethyl-1-silylbutan-1-one
CID 154090082
CID 159178711
CID 159178711

Frequently Asked Questions

What is the IUPAC name of N,N,4,4-tetramethyl-2-oxopentanamide?
The IUPAC name of N,N,4,4-tetramethyl-2-oxopentanamide (CID 158996927) is N,N,4,4-tetramethyl-2-oxopentanamide.
What is the SMILES notation for N,N,4,4-tetramethyl-2-oxopentanamide?
The canonical SMILES for N,N,4,4-tetramethyl-2-oxopentanamide is CN(C)C(=O)C(=O)CC(C)(C)C.
What is the InChIKey of N,N,4,4-tetramethyl-2-oxopentanamide?
The InChIKey is RJCNBPVNAURHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)6-7(11)8(12)10(4)5/h6H2,1-5H3.
What are the key properties of N,N,4,4-tetramethyl-2-oxopentanamide?
N,N,4,4-tetramethyl-2-oxopentanamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,4-tetramethyl-2-oxopentanamide is sourced from PubChem (CID 158996927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).