N-ethyl-4,4-dimethyl-2-oxopentanamide

C9H17NO2 — CID 58286909

IUPACN-ethyl-4,4-dimethyl-2-oxopentanamide
SMILESCCNC(=O)C(=O)CC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-10-8(12)7(11)6-9(2,3)4/h5-6H2,1-4H3,(H,10,12)
InChIKeyDQTFWONKOKMNFI-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds3

About N-ethyl-4,4-dimethyl-2-oxopentanamide

N-ethyl-4,4-dimethyl-2-oxopentanamide (PubChem CID 58286909) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-2-oxopentanamide.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-2-oxopentanamide
PubChem CID58286909
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-ethyl-4,4-dimethyl-2-oxopentanamide
SMILESCCNC(=O)C(=O)CC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-10-8(12)7(11)6-9(2,3)4/h5-6H2,1-4H3,(H,10,12)
InChIKeyDQTFWONKOKMNFI-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
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-Butyl-2,2,4-trimethyl-3-oxopentanimidic acid
CID 212510
L-Valinamide,L-leucyl-N,3-dimethyl
CID 11379871
Acetamide, N-(1-acetyl-3-methylbutyl)-
CID 12277623
N-Ethyl-2,2,4-trimethylvaleramide
CID 101047
N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide
CID 23184770
N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-(fluoromethyl)-2-methylcyclopropane-1-carboxamide
CID 117767183
N-(2-fluoroethyl)-3-methyl-2-oxohexanamide
CID 145466660
N-[(2R)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785220
N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785221
N-[(2R)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979428
N-[(1R)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979432
N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979434

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-2-oxopentanamide?
The IUPAC name of N-ethyl-4,4-dimethyl-2-oxopentanamide (CID 58286909) is N-ethyl-4,4-dimethyl-2-oxopentanamide.
What is the SMILES notation for N-ethyl-4,4-dimethyl-2-oxopentanamide?
The canonical SMILES for N-ethyl-4,4-dimethyl-2-oxopentanamide is CCNC(=O)C(=O)CC(C)(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-2-oxopentanamide?
The InChIKey is DQTFWONKOKMNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-10-8(12)7(11)6-9(2,3)4/h5-6H2,1-4H3,(H,10,12).
What are the key properties of N-ethyl-4,4-dimethyl-2-oxopentanamide?
N-ethyl-4,4-dimethyl-2-oxopentanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-2-oxopentanamide is sourced from PubChem (CID 58286909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).