N,N-dimethyl-3-oxoheptanamide

C9H17NO2 — CID 86682301

IUPACN,N-dimethyl-3-oxoheptanamide
SMILESCCCCC(=O)CC(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-4-5-6-8(11)7-9(12)10(2)3/h4-7H2,1-3H3
InChIKeyRBBKDYLDWRZLPA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds5

About N,N-dimethyl-3-oxoheptanamide

N,N-dimethyl-3-oxoheptanamide (PubChem CID 86682301) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N-dimethyl-3-oxoheptanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxoheptanamide
PubChem CID86682301
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,N-dimethyl-3-oxoheptanamide
SMILESCCCCC(=O)CC(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-4-5-6-8(11)7-9(12)10(2)3/h4-7H2,1-3H3
InChIKeyRBBKDYLDWRZLPA-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

cobalt(2+);octane-2,4-dione
CID 22152476
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
ethyl 3-oxoheptanoate
CID 559036
heptacosane-10,12-dione
CID 14235516
6,8-dioxododecanoic acid
CID 88561776
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
1-(dimethylamino)heptan-3-one
CID 18322699
methyl 3-oxoheptanoate
CID 546075
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
methanol;octan-4-one
CID 174820687
dodecan-5-one
CID 29771

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxoheptanamide?
The IUPAC name of N,N-dimethyl-3-oxoheptanamide (CID 86682301) is N,N-dimethyl-3-oxoheptanamide.
What is the SMILES notation for N,N-dimethyl-3-oxoheptanamide?
The canonical SMILES for N,N-dimethyl-3-oxoheptanamide is CCCCC(=O)CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-oxoheptanamide?
The InChIKey is RBBKDYLDWRZLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-6-8(11)7-9(12)10(2)3/h4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-oxoheptanamide?
N,N-dimethyl-3-oxoheptanamide has a molecular weight of 171.24 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxoheptanamide is sourced from PubChem (CID 86682301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).