4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide

C13H25NO2 — CID 167255818

IUPAC4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide
SMILESCCC(C)(C)CC(C(=O)N=O)C(C)(C)CC
InChIInChI=1S/C13H25NO2/c1-7-12(3,4)9-10(11(15)14-16)13(5,6)8-2/h10H,7-9H2,1-6H3
InChIKeyRGUATCBNMVAAST-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.16
Rot. Bonds6

About 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide

4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide (PubChem CID 167255818) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide
PubChem CID167255818
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide
SMILESCCC(C)(C)CC(C(=O)N=O)C(C)(C)CC
InChIInChI=1S/C13H25NO2/c1-7-12(3,4)9-10(11(15)14-16)13(5,6)8-2/h10H,7-9H2,1-6H3
InChIKeyRGUATCBNMVAAST-UHFFFAOYSA-N
XLogP4.16
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 4,4-dimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 71241285
propan-2-yl 2-tert-butyl-4,4-dimethylhexanoate
CID 89367103
[3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)butyl] 4,4-dimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 89025505
methyl 5,5-dimethyl-3-(2-methylbutan-2-yl)heptanoate
CID 88529536
1-O-[2-[4,4-dimethyl-2-(2-methylbutan-2-yl)hexanoyl]oxyethyl] 4-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) butanedioate
CID 89468015
3,3,6-trimethyl-5-(1-nitrosoethenyl)octane
CID 167255509
methyl 2-ethyl-3,3-dimethylpentanoate
CID 13113712
2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid
CID 158949436
N,2,4,4-tetramethylhexanamide
CID 177059131
4,4-dimethylhexan-2-yl 2-methylpropanoate
CID 89041122
(2R)-2-hydroxy-3,3-dimethylpentanamide
CID 126746768
1,1-difluoro-3,3-dimethylpentane
CID 170027103

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide?
The IUPAC name of 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide (CID 167255818) is 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide?
The canonical SMILES for 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide is CCC(C)(C)CC(C(=O)N=O)C(C)(C)CC.
What is the InChIKey of 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide?
The InChIKey is RGUATCBNMVAAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-7-12(3,4)9-10(11(15)14-16)13(5,6)8-2/h10H,7-9H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide?
4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide has a molecular weight of 227.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide is sourced from PubChem (CID 167255818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).