benzyl N,N-diethylcarbamate

C12H17NO2 — CID 10262437

IUPACbenzyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyAYEFZRJHKJIURZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.66
Rot. Bonds4

About benzyl N,N-diethylcarbamate

benzyl N,N-diethylcarbamate (PubChem CID 10262437) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is benzyl N,N-diethylcarbamate.

Molecular Properties

Compound Namebenzyl N,N-diethylcarbamate
PubChem CID10262437
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namebenzyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyAYEFZRJHKJIURZ-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl Cyanomethylcarbamate
CID 244143
Benzyl piperazine-1-carboxylate
CID 643495
Benzyl (2-oxopropyl)carbamate
CID 22747857
Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
benzyl N-methylcarbamate
CID 562265
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
benzyl N-(2-bromoethyl)carbamate
CID 278694
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
Benzyl dimethylcarbamate
CID 12963450
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
CID 13196229

Frequently Asked Questions

What is the IUPAC name of benzyl N,N-diethylcarbamate?
The IUPAC name of benzyl N,N-diethylcarbamate (CID 10262437) is benzyl N,N-diethylcarbamate.
What is the SMILES notation for benzyl N,N-diethylcarbamate?
The canonical SMILES for benzyl N,N-diethylcarbamate is CCN(CC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N,N-diethylcarbamate?
The InChIKey is AYEFZRJHKJIURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of benzyl N,N-diethylcarbamate?
benzyl N,N-diethylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N-diethylcarbamate is sourced from PubChem (CID 10262437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).