2-(1-methoxycyclobutyl)-N,N-dimethylacetamide

C9H17NO2 — CID 103520052

IUPAC2-(1-methoxycyclobutyl)-N,N-dimethylacetamide
SMILESCOC1(CC(=O)N(C)C)CCC1
InChIInChI=1S/C9H17NO2/c1-10(2)8(11)7-9(12-3)5-4-6-9/h4-7H2,1-3H3
InChIKeyCXAAVBLOFYSSDE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds3

About 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide

2-(1-methoxycyclobutyl)-N,N-dimethylacetamide (PubChem CID 103520052) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N,N-dimethylacetamide
PubChem CID103520052
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(1-methoxycyclobutyl)-N,N-dimethylacetamide
SMILESCOC1(CC(=O)N(C)C)CCC1
InChIInChI=1S/C9H17NO2/c1-10(2)8(11)7-9(12-3)5-4-6-9/h4-7H2,1-3H3
InChIKeyCXAAVBLOFYSSDE-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide (CID 103520052) is 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide is COC1(CC(=O)N(C)C)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide?
The InChIKey is CXAAVBLOFYSSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10(2)8(11)7-9(12-3)5-4-6-9/h4-7H2,1-3H3.
What are the key properties of 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide?
2-(1-methoxycyclobutyl)-N,N-dimethylacetamide has a molecular weight of 171.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N,N-dimethylacetamide is sourced from PubChem (CID 103520052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).