2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide

C9H17NO2 — CID 141082926

IUPAC2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)(C)CC=O
InChIInChI=1S/C9H17NO2/c1-7(2)10-8(12)9(3,4)5-6-11/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyMRPKIHFCKAGMIL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds4

About 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide

2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide (PubChem CID 141082926) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide
PubChem CID141082926
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)(C)CC=O
InChIInChI=1S/C9H17NO2/c1-7(2)10-8(12)9(3,4)5-6-11/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyMRPKIHFCKAGMIL-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
2,2-dimethyl-N-propan-2-yl-4-propoxybutanamide
CID 174322998
2-methyl-2-(methylamino)-N-propan-2-ylpropanamide
CID 62835801
2-methyl-N-propan-2-yl-2-sulfanylbutanamide
CID 176964784
6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide
CID 134575982
4-oxo-N-propan-2-ylbutanamide
CID 87543114
N-(benzenesulfonyl)-2,2-dimethyl-4-oxobutanamide
CID 91092490
2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
CID 108956970
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
2-methyl-2-(methylamino)-4-oxobutanamide
CID 175751505

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide?
The IUPAC name of 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide (CID 141082926) is 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide.
What is the SMILES notation for 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide?
The canonical SMILES for 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide is CC(C)NC(=O)C(C)(C)CC=O.
What is the InChIKey of 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide?
The InChIKey is MRPKIHFCKAGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)10-8(12)9(3,4)5-6-11/h6-7H,5H2,1-4H3,(H,10,12).
What are the key properties of 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide?
2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide is sourced from PubChem (CID 141082926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).