N,3,3-trimethyl-2-oxopentanamide

C8H15NO2 — CID 21353749

IUPACN,3,3-trimethyl-2-oxopentanamide
SMILESCCC(C)(C)C(=O)C(=O)NC
InChIInChI=1S/C8H15NO2/c1-5-8(2,3)6(10)7(11)9-4/h5H2,1-4H3,(H,9,11)
InChIKeyOHUKGPQFFTWWTB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.74
Rot. Bonds3

About N,3,3-trimethyl-2-oxopentanamide

N,3,3-trimethyl-2-oxopentanamide (PubChem CID 21353749) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N,3,3-trimethyl-2-oxopentanamide.

Molecular Properties

Compound NameN,3,3-trimethyl-2-oxopentanamide
PubChem CID21353749
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN,3,3-trimethyl-2-oxopentanamide
SMILESCCC(C)(C)C(=O)C(=O)NC
InChIInChI=1S/C8H15NO2/c1-5-8(2,3)6(10)7(11)9-4/h5H2,1-4H3,(H,9,11)
InChIKeyOHUKGPQFFTWWTB-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,5,5-trimethyl-2,4-dioxohexanamide
CID 10932129
2-keto-3,3,N-trimethyl-butyramide
CID 13355140
N,4,4-trimethyl-3-oxopentanamide
CID 14566829
N,4-dimethyl-2-oxopentanamide
CID 18618423
2-ethyl-2-methyl-N-(2-oxopropyl)butanamide
CID 57783617
2,2-diacetyl-N-methyl-3-oxopentanamide
CID 57853020
1-methyl-N-(2-oxopropyl)cyclobutane-1-carboxamide
CID 58257022
N-ethyl-4,4-dimethyl-2-oxopentanamide
CID 58286909
N,3,3-trimethyl-4-oxopentanamide
CID 58728029
N-(5-deuterio-2-oxopentyl)-2-ethyl-2-methylbutanamide
CID 59105857
N,3,3-trimethylpentanamide
CID 88310540
3,3-dimethyl-2-oxo-N-pentylbutanamide
CID 88749472

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2-oxopentanamide?
The IUPAC name of N,3,3-trimethyl-2-oxopentanamide (CID 21353749) is N,3,3-trimethyl-2-oxopentanamide.
What is the SMILES notation for N,3,3-trimethyl-2-oxopentanamide?
The canonical SMILES for N,3,3-trimethyl-2-oxopentanamide is CCC(C)(C)C(=O)C(=O)NC.
What is the InChIKey of N,3,3-trimethyl-2-oxopentanamide?
The InChIKey is OHUKGPQFFTWWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-8(2,3)6(10)7(11)9-4/h5H2,1-4H3,(H,9,11).
What are the key properties of N,3,3-trimethyl-2-oxopentanamide?
N,3,3-trimethyl-2-oxopentanamide has a molecular weight of 157.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2-oxopentanamide is sourced from PubChem (CID 21353749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).