benzyl N-benzoylcarbamate

C15H13NO3 — CID 14266440

IUPACbenzyl N-benzoylcarbamate
SMILESO=C(NC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(13-9-5-2-6-10-13)16-15(18)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,17,18)
InChIKeyUPGIGEFVJYABBQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.75
Rot. Bonds3

About benzyl N-benzoylcarbamate

benzyl N-benzoylcarbamate (PubChem CID 14266440) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is benzyl N-benzoylcarbamate.

Molecular Properties

Compound Namebenzyl N-benzoylcarbamate
PubChem CID14266440
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namebenzyl N-benzoylcarbamate
SMILESO=C(NC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(13-9-5-2-6-10-13)16-15(18)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,17,18)
InChIKeyUPGIGEFVJYABBQ-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
N-Benzoyl-O-benzylhydroxylamine
CID 252925
2,4-dichlorobenzyl N-(2-fluorobenzoyl)carbamate
CID 2798261
4-((((Benzyloxy)carbonyl)amino)methyl)benzoic acid
CID 1479997
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
Benzyl 2-benzoyl-2-tert-butylhydrazinecarboxylate
CID 682784
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
3-(3-Carbamoyl-phenyl)-acrylic acid benzyl ester
CID 10540769
3-(Benzoylamino)propyl benzoate
CID 232150
N-[Methoxy(phenyl)methyl]benzamide
CID 569592
4-Fluorophenyl benzoylcarbamate
CID 790834
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide
CID 2817603

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzoylcarbamate?
The IUPAC name of benzyl N-benzoylcarbamate (CID 14266440) is benzyl N-benzoylcarbamate.
What is the SMILES notation for benzyl N-benzoylcarbamate?
The canonical SMILES for benzyl N-benzoylcarbamate is O=C(NC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-benzoylcarbamate?
The InChIKey is UPGIGEFVJYABBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(13-9-5-2-6-10-13)16-15(18)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,17,18).
What are the key properties of benzyl N-benzoylcarbamate?
benzyl N-benzoylcarbamate has a molecular weight of 255.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzoylcarbamate is sourced from PubChem (CID 14266440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).