(1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate

C15H21ClN2O2 — CID 30371

IUPAC(1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
SMILESCCN1CCC(COC(=O)Nc2c(C)cccc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-3-18-8-7-12(9-18)10-20-15(19)17-14-11(2)5-4-6-13(14)16/h4-6,12H,3,7-10H2,1-2H3,(H,17,19)
InChIKeyYTMLPMPNJWJWNR-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.54
Rot. Bonds4

About (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate

(1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate (PubChem CID 30371) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate.

Molecular Properties

Compound Name(1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
PubChem CID30371
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
SMILESCCN1CCC(COC(=O)Nc2c(C)cccc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-3-18-8-7-12(9-18)10-20-15(19)17-14-11(2)5-4-6-13(14)16/h4-6,12H,3,7-10H2,1-2H3,(H,17,19)
InChIKeyYTMLPMPNJWJWNR-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)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 (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The IUPAC name of (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate (CID 30371) is (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate.
What is the SMILES notation for (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The canonical SMILES for (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate is CCN1CCC(COC(=O)Nc2c(C)cccc2Cl)C1.
What is the InChIKey of (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The InChIKey is YTMLPMPNJWJWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-18-8-7-12(9-18)10-20-15(19)17-14-11(2)5-4-6-13(14)16/h4-6,12H,3,7-10H2,1-2H3,(H,17,19).
What are the key properties of (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
(1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate has a molecular weight of 296.80 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate is sourced from PubChem (CID 30371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).