[2-(methylcarbamoyloxy)phenyl]methyl benzoate

C16H15NO4 — CID 54157847

IUPAC[2-(methylcarbamoyloxy)phenyl]methyl benzoate
SMILESCNC(=O)Oc1ccccc1COC(=O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-17-16(19)21-14-10-6-5-9-13(14)11-20-15(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyOMIHSQYLHUECFJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.76
Rot. Bonds4

About [2-(methylcarbamoyloxy)phenyl]methyl benzoate

[2-(methylcarbamoyloxy)phenyl]methyl benzoate (PubChem CID 54157847) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(methylcarbamoyloxy)phenyl]methyl benzoate.

Molecular Properties

Compound Name[2-(methylcarbamoyloxy)phenyl]methyl benzoate
PubChem CID54157847
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[2-(methylcarbamoyloxy)phenyl]methyl benzoate
SMILESCNC(=O)Oc1ccccc1COC(=O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-17-16(19)21-14-10-6-5-9-13(14)11-20-15(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyOMIHSQYLHUECFJ-UHFFFAOYSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
[2-(4-formylbenzoyl)oxyphenyl]methyl 4-formylbenzoate
CID 163997581
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate
CID 54093839
(2-acetyloxyphenyl)methyl acetate
CID 10889107
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
[2-(butylsulfanylmethyl)phenyl] N-methylcarbamate
CID 13434047
naphthalen-1-yl N-methylcarbamate
CID 23447097
[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
CID 53245201
benzyl benzoate
CID 2345
[2-(chloromethyl)phenyl] N-ethylcarbamate
CID 175051095
[2-(3-oxobutyl)phenyl] benzoate
CID 143135304

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoyloxy)phenyl]methyl benzoate?
The IUPAC name of [2-(methylcarbamoyloxy)phenyl]methyl benzoate (CID 54157847) is [2-(methylcarbamoyloxy)phenyl]methyl benzoate.
What is the SMILES notation for [2-(methylcarbamoyloxy)phenyl]methyl benzoate?
The canonical SMILES for [2-(methylcarbamoyloxy)phenyl]methyl benzoate is CNC(=O)Oc1ccccc1COC(=O)c1ccccc1.
What is the InChIKey of [2-(methylcarbamoyloxy)phenyl]methyl benzoate?
The InChIKey is OMIHSQYLHUECFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17-16(19)21-14-10-6-5-9-13(14)11-20-15(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of [2-(methylcarbamoyloxy)phenyl]methyl benzoate?
[2-(methylcarbamoyloxy)phenyl]methyl benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoyloxy)phenyl]methyl benzoate is sourced from PubChem (CID 54157847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).