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

C15H22N2O2 — CID 3032734

IUPAC(1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate
SMILESCCN1CCC(COC(=O)Nc2ccccc2C)C1
InChIInChI=1S/C15H22N2O2/c1-3-17-9-8-13(10-17)11-19-15(18)16-14-7-5-4-6-12(14)2/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyQNDRDABSRGOYPW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.89
Rot. Bonds4

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

(1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate (PubChem CID 3032734) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name(1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate
PubChem CID3032734
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate
SMILESCCN1CCC(COC(=O)Nc2ccccc2C)C1
InChIInChI=1S/C15H22N2O2/c1-3-17-9-8-13(10-17)11-19-15(18)16-14-7-5-4-6-12(14)2/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyQNDRDABSRGOYPW-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate?
The IUPAC name of (1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate (CID 3032734) is (1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate.
What is the SMILES notation for (1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate?
The canonical SMILES for (1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate is CCN1CCC(COC(=O)Nc2ccccc2C)C1.
What is the InChIKey of (1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate?
The InChIKey is QNDRDABSRGOYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-17-9-8-13(10-17)11-19-15(18)16-14-7-5-4-6-12(14)2/h4-7,13H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of (1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate?
(1-ethylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.89, 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-methylphenyl)carbamate is sourced from PubChem (CID 3032734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).