benzyl N-(furan-2-ylmethyl)carbamate

C13H13NO3 — CID 10220238

IUPACbenzyl N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)OCc1ccccc1
InChIInChI=1S/C13H13NO3/c15-13(14-9-12-7-4-8-16-12)17-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,14,15)
InChIKeyAWDLEFRCAXGXLQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.71
Rot. Bonds4

About benzyl N-(furan-2-ylmethyl)carbamate

benzyl N-(furan-2-ylmethyl)carbamate (PubChem CID 10220238) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is benzyl N-(furan-2-ylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(furan-2-ylmethyl)carbamate
PubChem CID10220238
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namebenzyl N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)OCc1ccccc1
InChIInChI=1S/C13H13NO3/c15-13(14-9-12-7-4-8-16-12)17-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,14,15)
InChIKeyAWDLEFRCAXGXLQ-UHFFFAOYSA-N
XLogP2.71
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate
CID 167827253
benzyl 2-(furan-2-yl)acetate
CID 11447250
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
hexyl N-(furan-2-ylmethyl)carbamate
CID 67843167
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl 3-(furan-2-yl)-2-methylpropanoate
CID 132501734
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
CID 23532304

Frequently Asked Questions

What is the IUPAC name of benzyl N-(furan-2-ylmethyl)carbamate?
The IUPAC name of benzyl N-(furan-2-ylmethyl)carbamate (CID 10220238) is benzyl N-(furan-2-ylmethyl)carbamate.
What is the SMILES notation for benzyl N-(furan-2-ylmethyl)carbamate?
The canonical SMILES for benzyl N-(furan-2-ylmethyl)carbamate is O=C(NCc1ccco1)OCc1ccccc1.
What is the InChIKey of benzyl N-(furan-2-ylmethyl)carbamate?
The InChIKey is AWDLEFRCAXGXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13(14-9-12-7-4-8-16-12)17-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,14,15).
What are the key properties of benzyl N-(furan-2-ylmethyl)carbamate?
benzyl N-(furan-2-ylmethyl)carbamate has a molecular weight of 231.25 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(furan-2-ylmethyl)carbamate is sourced from PubChem (CID 10220238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).