7,7-dimethoxyheptanamide

C9H19NO3 — CID 134986076

IUPAC7,7-dimethoxyheptanamide
SMILESCOC(CCCCCC(N)=O)OC
InChIInChI=1S/C9H19NO3/c1-12-9(13-2)7-5-3-4-6-8(10)11/h9H,3-7H2,1-2H3,(H2,10,11)
InChIKeyIJMWJGRJNHOSCR-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.04
Rot. Bonds8

About 7,7-dimethoxyheptanamide

7,7-dimethoxyheptanamide (PubChem CID 134986076) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 7,7-dimethoxyheptanamide.

Molecular Properties

Compound Name7,7-dimethoxyheptanamide
PubChem CID134986076
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name7,7-dimethoxyheptanamide
SMILESCOC(CCCCCC(N)=O)OC
InChIInChI=1S/C9H19NO3/c1-12-9(13-2)7-5-3-4-6-8(10)11/h9H,3-7H2,1-2H3,(H2,10,11)
InChIKeyIJMWJGRJNHOSCR-UHFFFAOYSA-N
XLogP1.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hexanediamide;methoxymethane
CID 87287786
21-methyldotetracontanediamide
CID 87333254
disodium;7,7-dimethoxy-1-phosphonatoheptan-2-one
CID 88794857
dodecanediamide;nonanediamide
CID 175017820
docosanediamide;hexacosanediamide
CID 129179979
pentadecanediamide
CID 87429217
nonatetracontanediamide
CID 162734608
12,12-dimethoxydodecan-1-ol
CID 71412944
15-ethylnonacosanediamide
CID 141183964
1,1-dimethoxy-7-methylidenenonane
CID 11252644
4-(5,5-dimethoxypentoxy)-4-oxobutanoic acid
CID 141304633
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethoxyheptanamide?
The IUPAC name of 7,7-dimethoxyheptanamide (CID 134986076) is 7,7-dimethoxyheptanamide.
What is the SMILES notation for 7,7-dimethoxyheptanamide?
The canonical SMILES for 7,7-dimethoxyheptanamide is COC(CCCCCC(N)=O)OC.
What is the InChIKey of 7,7-dimethoxyheptanamide?
The InChIKey is IJMWJGRJNHOSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-12-9(13-2)7-5-3-4-6-8(10)11/h9H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 7,7-dimethoxyheptanamide?
7,7-dimethoxyheptanamide has a molecular weight of 189.25 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethoxyheptanamide is sourced from PubChem (CID 134986076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).