benzyl N-acetylcarbamate

C10H11NO3 — CID 12066024

IUPACbenzyl N-acetylcarbamate
SMILESCC(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO3/c1-8(12)11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyIMSURJCYZMGADJ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.46
Rot. Bonds2

About benzyl N-acetylcarbamate

benzyl N-acetylcarbamate (PubChem CID 12066024) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is benzyl N-acetylcarbamate.

Molecular Properties

Compound Namebenzyl N-acetylcarbamate
PubChem CID12066024
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namebenzyl N-acetylcarbamate
SMILESCC(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO3/c1-8(12)11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyIMSURJCYZMGADJ-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl hydroxycarbamate
CID 18907
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl carbamate
CID 12136
Benzyl (2-oxopropyl)carbamate
CID 22747857
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
benzyl N-methylcarbamate
CID 562265
benzyl N-(2-bromoethyl)carbamate
CID 278694
N-((Benzyloxy)carbonyl)-2-methylalanine
CID 294936
benzyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate
CID 15567852
Benzyl (benzyloxy)carbamate
CID 13417381
Phenylmethyl N-(2-amino-2-oxoethyl)carbamate
CID 70366
methyl N-benzyloxycarbonylglycinate
CID 71033

Frequently Asked Questions

What is the IUPAC name of benzyl N-acetylcarbamate?
The IUPAC name of benzyl N-acetylcarbamate (CID 12066024) is benzyl N-acetylcarbamate.
What is the SMILES notation for benzyl N-acetylcarbamate?
The canonical SMILES for benzyl N-acetylcarbamate is CC(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-acetylcarbamate?
The InChIKey is IMSURJCYZMGADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-8(12)11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13).
What are the key properties of benzyl N-acetylcarbamate?
benzyl N-acetylcarbamate has a molecular weight of 193.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-acetylcarbamate is sourced from PubChem (CID 12066024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).