3-methoxypropyl N,N-dimethylcarbamate

C7H15NO3 — CID 22505847

IUPAC3-methoxypropyl N,N-dimethylcarbamate
SMILESCOCCCOC(=O)N(C)C
InChIInChI=1S/C7H15NO3/c1-8(2)7(9)11-6-4-5-10-3/h4-6H2,1-3H3
InChIKeyYBHHORHWMHOYBP-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.72
Rot. Bonds4

About 3-methoxypropyl N,N-dimethylcarbamate

3-methoxypropyl N,N-dimethylcarbamate (PubChem CID 22505847) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methoxypropyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name3-methoxypropyl N,N-dimethylcarbamate
PubChem CID22505847
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-methoxypropyl N,N-dimethylcarbamate
SMILESCOCCCOC(=O)N(C)C
InChIInChI=1S/C7H15NO3/c1-8(2)7(9)11-6-4-5-10-3/h4-6H2,1-3H3
InChIKeyYBHHORHWMHOYBP-UHFFFAOYSA-N
XLogP0.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methoxypropyl N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl N,N-dimethylcarbamate?
The IUPAC name of 3-methoxypropyl N,N-dimethylcarbamate (CID 22505847) is 3-methoxypropyl N,N-dimethylcarbamate.
What is the SMILES notation for 3-methoxypropyl N,N-dimethylcarbamate?
The canonical SMILES for 3-methoxypropyl N,N-dimethylcarbamate is COCCCOC(=O)N(C)C.
What is the InChIKey of 3-methoxypropyl N,N-dimethylcarbamate?
The InChIKey is YBHHORHWMHOYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8(2)7(9)11-6-4-5-10-3/h4-6H2,1-3H3.
What are the key properties of 3-methoxypropyl N,N-dimethylcarbamate?
3-methoxypropyl N,N-dimethylcarbamate has a molecular weight of 161.20 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl N,N-dimethylcarbamate is sourced from PubChem (CID 22505847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).