benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate

C15H17NO3 — CID 110733313

IUPACbenzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
SMILESCN(CCc1ccco1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO3/c1-16(10-9-14-8-5-11-18-14)15(17)19-12-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3
InChIKeyDIJNHSZPSPMBJU-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.09
Rot. Bonds5

About benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate

benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate (PubChem CID 110733313) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
PubChem CID110733313
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namebenzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
SMILESCN(CCc1ccco1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO3/c1-16(10-9-14-8-5-11-18-14)15(17)19-12-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3
InChIKeyDIJNHSZPSPMBJU-UHFFFAOYSA-N
XLogP3.09
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
benzyl 2-(furan-2-yl)acetate
CID 11447250
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl 3-(furan-2-yl)-2-methylpropanoate
CID 132501734
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-methyl-N-(5-oxopentyl)carbamate
CID 86722745
benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide
CID 110745445
benzyl N-(3-chlorosulfonylpropyl)-N-methylcarbamate
CID 84715697
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
benzyl N-[2-[(3-chloro-2,2-dimethyl-3-oxopropanoyl)-methylamino]ethyl]-N-methylcarbamate
CID 59256379
furan-2-ylmethyl N,N-diphenylcarbamate
CID 4257643

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate (CID 110733313) is benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate is CN(CCc1ccco1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate?
The InChIKey is DIJNHSZPSPMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16(10-9-14-8-5-11-18-14)15(17)19-12-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate?
benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate has a molecular weight of 259.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 110733313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).