N-methoxy-N,2-dimethyl-7-oxoheptanamide

C10H19NO3 — CID 139377372

IUPACN-methoxy-N,2-dimethyl-7-oxoheptanamide
SMILESCON(C)C(=O)C(C)CCCCC=O
InChIInChI=1S/C10H19NO3/c1-9(7-5-4-6-8-12)10(13)11(2)14-3/h8-9H,4-7H2,1-3H3
InChIKeyKQZFXDJFXLRPFJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.40
Rot. Bonds7

About N-methoxy-N,2-dimethyl-7-oxoheptanamide

N-methoxy-N,2-dimethyl-7-oxoheptanamide (PubChem CID 139377372) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-methoxy-N,2-dimethyl-7-oxoheptanamide.

Molecular Properties

Compound NameN-methoxy-N,2-dimethyl-7-oxoheptanamide
PubChem CID139377372
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-methoxy-N,2-dimethyl-7-oxoheptanamide
SMILESCON(C)C(=O)C(C)CCCCC=O
InChIInChI=1S/C10H19NO3/c1-9(7-5-4-6-8-12)10(13)11(2)14-3/h8-9H,4-7H2,1-3H3
InChIKeyKQZFXDJFXLRPFJ-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 58077726
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077
2-methyl-6-oxohexanoic acid
CID 19986900
12-hydroxytridecanal
CID 11961599
[(2R)-12-oxododecan-2-yl] acetate
CID 102367359
[(2S)-8-oxooctan-2-yl] acetate
CID 72946999
alumane;6-methylheptanal
CID 174999973
22-methyltricosanal
CID 86049143
12-methyltridecanal
CID 146297718
18-methylnonadecanal
CID 22123977
(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide
CID 161216773

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,2-dimethyl-7-oxoheptanamide?
The IUPAC name of N-methoxy-N,2-dimethyl-7-oxoheptanamide (CID 139377372) is N-methoxy-N,2-dimethyl-7-oxoheptanamide.
What is the SMILES notation for N-methoxy-N,2-dimethyl-7-oxoheptanamide?
The canonical SMILES for N-methoxy-N,2-dimethyl-7-oxoheptanamide is CON(C)C(=O)C(C)CCCCC=O.
What is the InChIKey of N-methoxy-N,2-dimethyl-7-oxoheptanamide?
The InChIKey is KQZFXDJFXLRPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(7-5-4-6-8-12)10(13)11(2)14-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methoxy-N,2-dimethyl-7-oxoheptanamide?
N-methoxy-N,2-dimethyl-7-oxoheptanamide has a molecular weight of 201.27 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2-dimethyl-7-oxoheptanamide is sourced from PubChem (CID 139377372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).