methyl N-(4-ethoxy-3-methylbutyl)carbamate

C9H19NO3 — CID 58593354

IUPACmethyl N-(4-ethoxy-3-methylbutyl)carbamate
SMILESCCOCC(C)CCNC(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-13-7-8(2)5-6-10-9(11)12-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyMXXZFKYYYVSTGF-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.41
Rot. Bonds6

About methyl N-(4-ethoxy-3-methylbutyl)carbamate

methyl N-(4-ethoxy-3-methylbutyl)carbamate (PubChem CID 58593354) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl N-(4-ethoxy-3-methylbutyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-ethoxy-3-methylbutyl)carbamate
PubChem CID58593354
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl N-(4-ethoxy-3-methylbutyl)carbamate
SMILESCCOCC(C)CCNC(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-13-7-8(2)5-6-10-9(11)12-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyMXXZFKYYYVSTGF-UHFFFAOYSA-N
XLogP1.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-(4-ethoxy-3-methylbutyl)carbamate 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 methyl N-(4-ethoxy-3-methylbutyl)carbamate?
The IUPAC name of methyl N-(4-ethoxy-3-methylbutyl)carbamate (CID 58593354) is methyl N-(4-ethoxy-3-methylbutyl)carbamate.
What is the SMILES notation for methyl N-(4-ethoxy-3-methylbutyl)carbamate?
The canonical SMILES for methyl N-(4-ethoxy-3-methylbutyl)carbamate is CCOCC(C)CCNC(=O)OC.
What is the InChIKey of methyl N-(4-ethoxy-3-methylbutyl)carbamate?
The InChIKey is MXXZFKYYYVSTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-13-7-8(2)5-6-10-9(11)12-3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of methyl N-(4-ethoxy-3-methylbutyl)carbamate?
methyl N-(4-ethoxy-3-methylbutyl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-ethoxy-3-methylbutyl)carbamate is sourced from PubChem (CID 58593354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).