3,3-dimethyl-2-oxo-N-pentylbutanamide

C11H21NO2 — CID 88749472

IUPAC3,3-dimethyl-2-oxo-N-pentylbutanamide
SMILESCCCCCNC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-12-10(14)9(13)11(2,3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyCYHYAHCPWRZVEL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.91
Rot. Bonds5

About 3,3-dimethyl-2-oxo-N-pentylbutanamide

3,3-dimethyl-2-oxo-N-pentylbutanamide (PubChem CID 88749472) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-pentylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-pentylbutanamide
PubChem CID88749472
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3,3-dimethyl-2-oxo-N-pentylbutanamide
SMILESCCCCCNC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-12-10(14)9(13)11(2,3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyCYHYAHCPWRZVEL-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Butyl-2,2,4-trimethyl-3-oxopentanimidic acid
CID 212510
N,2,2-Triethylbutyramide
CID 101046
N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide
CID 23184770
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
N-[(2S)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 167026074
N-hexyl-2,2-dimethylbutanamide
CID 4627634
2,2-dimethyl-N-pentylbutanamide
CID 4629531
N-ethyl-2,2-dimethylbutanamide
CID 4635087

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-pentylbutanamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-pentylbutanamide (CID 88749472) is 3,3-dimethyl-2-oxo-N-pentylbutanamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-pentylbutanamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-pentylbutanamide is CCCCCNC(=O)C(=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-pentylbutanamide?
The InChIKey is CYHYAHCPWRZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-12-10(14)9(13)11(2,3)4/h5-8H2,1-4H3,(H,12,14).
What are the key properties of 3,3-dimethyl-2-oxo-N-pentylbutanamide?
3,3-dimethyl-2-oxo-N-pentylbutanamide has a molecular weight of 199.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-pentylbutanamide is sourced from PubChem (CID 88749472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).