N,7,7-trimethyl-6-oxooctanamide

C11H21NO2 — CID 149454970

IUPACN,7,7-trimethyl-6-oxooctanamide
SMILESCNC(=O)CCCCC(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)9(13)7-5-6-8-10(14)12-4/h5-8H2,1-4H3,(H,12,14)
InChIKeyYYJJFTIEQHXEPH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.91
Rot. Bonds5

About N,7,7-trimethyl-6-oxooctanamide

N,7,7-trimethyl-6-oxooctanamide (PubChem CID 149454970) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N,7,7-trimethyl-6-oxooctanamide.

Molecular Properties

Compound NameN,7,7-trimethyl-6-oxooctanamide
PubChem CID149454970
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN,7,7-trimethyl-6-oxooctanamide
SMILESCNC(=O)CCCCC(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)9(13)7-5-6-8-10(14)12-4/h5-8H2,1-4H3,(H,12,14)
InChIKeyYYJJFTIEQHXEPH-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'}

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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
5-bromo-N-methylpentanamide
CID 19971018
N-methylheptacosanamide
CID 18175889
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
N,8,8-trimethyldecanamide
CID 89097634
N-methyl-N'-sulfanylnonanediamide
CID 143363504
N-methyl-11-(methylamino)undecanamide
CID 59809097
N-methyl-6-sulfanylhexanamide
CID 58262294

Frequently Asked Questions

What is the IUPAC name of N,7,7-trimethyl-6-oxooctanamide?
The IUPAC name of N,7,7-trimethyl-6-oxooctanamide (CID 149454970) is N,7,7-trimethyl-6-oxooctanamide.
What is the SMILES notation for N,7,7-trimethyl-6-oxooctanamide?
The canonical SMILES for N,7,7-trimethyl-6-oxooctanamide is CNC(=O)CCCCC(=O)C(C)(C)C.
What is the InChIKey of N,7,7-trimethyl-6-oxooctanamide?
The InChIKey is YYJJFTIEQHXEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)9(13)7-5-6-8-10(14)12-4/h5-8H2,1-4H3,(H,12,14).
What are the key properties of N,7,7-trimethyl-6-oxooctanamide?
N,7,7-trimethyl-6-oxooctanamide 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 N,7,7-trimethyl-6-oxooctanamide is sourced from PubChem (CID 149454970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).