N,N,2-trimethyl-3-oxopentanamide

C8H15NO2 — CID 11205913

IUPACN,N,2-trimethyl-3-oxopentanamide
SMILESCCC(=O)C(C)C(=O)N(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(10)6(2)8(11)9(3)4/h6H,5H2,1-4H3
InChIKeyQMZAQINHGRTFAB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

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

N,N,2-trimethyl-3-oxopentanamide (PubChem CID 11205913) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N,N,2-trimethyl-3-oxopentanamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3-oxopentanamide
PubChem CID11205913
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN,N,2-trimethyl-3-oxopentanamide
SMILESCCC(=O)C(C)C(=O)N(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(10)6(2)8(11)9(3)4/h6H,5H2,1-4H3
InChIKeyQMZAQINHGRTFAB-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxopentanoyl fluoride
CID 174997525
O-ethyl 3-(dimethylamino)-2-methyl-3-oxopropanethioate
CID 142771269
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
N,2-dimethyl-3-oxopentanamide
CID 55299421
1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one
CID 160945987
(2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide
CID 129405512
4-methylhept-1-ene-3,5-dione
CID 12712038
1,1,1-trichloro-3-methylhexane-2,4-dione
CID 86091397
2-[2-hydroxypropyl(methyl)amino]pentan-3-one
CID 64866283
N,N-dimethyl-2-(propan-2-ylamino)propanamide
CID 43085810
2-amino-N,N-dimethylbutanamide
CID 43649466
(2S)-2-bromo-N,N-dimethylbutanamide
CID 92939009

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-oxopentanamide?
The IUPAC name of N,N,2-trimethyl-3-oxopentanamide (CID 11205913) is N,N,2-trimethyl-3-oxopentanamide.
What is the SMILES notation for N,N,2-trimethyl-3-oxopentanamide?
The canonical SMILES for N,N,2-trimethyl-3-oxopentanamide is CCC(=O)C(C)C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-3-oxopentanamide?
The InChIKey is QMZAQINHGRTFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(10)6(2)8(11)9(3)4/h6H,5H2,1-4H3.
What are the key properties of N,N,2-trimethyl-3-oxopentanamide?
N,N,2-trimethyl-3-oxopentanamide has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-oxopentanamide is sourced from PubChem (CID 11205913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).