N,N-dimethylhexanamide;N-methylhexanamide

C15H32N2O2 — CID 90794993

IUPACN,N-dimethylhexanamide;N-methylhexanamide
SMILESCCCCCC(=O)N(C)C.CCCCCC(=O)NC
InChIInChI=1S/C8H17NO.C7H15NO/c1-4-5-6-7-8(10)9(2)3;1-3-4-5-6-7(9)8-2/h4-7H2,1-3H3;3-6H2,1-2H3,(H,8,9)
InChIKeyOJIIECSJKQBJRP-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.97
Rot. Bonds8

About N,N-dimethylhexanamide;N-methylhexanamide

N,N-dimethylhexanamide;N-methylhexanamide (PubChem CID 90794993) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N,N-dimethylhexanamide;N-methylhexanamide.

Molecular Properties

Compound NameN,N-dimethylhexanamide;N-methylhexanamide
PubChem CID90794993
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN,N-dimethylhexanamide;N-methylhexanamide
SMILESCCCCCC(=O)N(C)C.CCCCCC(=O)NC
InChIInChI=1S/C8H17NO.C7H15NO/c1-4-5-6-7-8(10)9(2)3;1-3-4-5-6-7(9)8-2/h4-7H2,1-3H3;3-6H2,1-2H3,(H,8,9)
InChIKeyOJIIECSJKQBJRP-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.97
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-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine
CID 161259059
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N-methylundecanamide
CID 23297450
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
ethane;N-methyltetradecanamide
CID 153349961
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N,N-dimethyloctadecanamide;thiourea
CID 174811693
N,N'-dimethylheptanediamide
CID 15166696

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylhexanamide;N-methylhexanamide?
The IUPAC name of N,N-dimethylhexanamide;N-methylhexanamide (CID 90794993) is N,N-dimethylhexanamide;N-methylhexanamide.
What is the SMILES notation for N,N-dimethylhexanamide;N-methylhexanamide?
The canonical SMILES for N,N-dimethylhexanamide;N-methylhexanamide is CCCCCC(=O)N(C)C.CCCCCC(=O)NC.
What is the InChIKey of N,N-dimethylhexanamide;N-methylhexanamide?
The InChIKey is OJIIECSJKQBJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C7H15NO/c1-4-5-6-7-8(10)9(2)3;1-3-4-5-6-7(9)8-2/h4-7H2,1-3H3;3-6H2,1-2H3,(H,8,9).
What are the key properties of N,N-dimethylhexanamide;N-methylhexanamide?
N,N-dimethylhexanamide;N-methylhexanamide has a molecular weight of 272.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhexanamide;N-methylhexanamide is sourced from PubChem (CID 90794993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).