[2-(carbamoyloxymethyl)phenyl]methyl carbamate

C10H12N2O4 — CID 23175354

IUPAC[2-(carbamoyloxymethyl)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccccc1COC(N)=O
InChIInChI=1S/C10H12N2O4/c11-9(13)15-5-7-3-1-2-4-8(7)6-16-10(12)14/h1-4H,5-6H2,(H2,11,13)(H2,12,14)
InChIKeyBPYZVOXTUVMQDS-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.88
Rot. Bonds4

About [2-(carbamoyloxymethyl)phenyl]methyl carbamate

[2-(carbamoyloxymethyl)phenyl]methyl carbamate (PubChem CID 23175354) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is [2-(carbamoyloxymethyl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[2-(carbamoyloxymethyl)phenyl]methyl carbamate
PubChem CID23175354
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name[2-(carbamoyloxymethyl)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccccc1COC(N)=O
InChIInChI=1S/C10H12N2O4/c11-9(13)15-5-7-3-1-2-4-8(7)6-16-10(12)14/h1-4H,5-6H2,(H2,11,13)(H2,12,14)
InChIKeyBPYZVOXTUVMQDS-UHFFFAOYSA-N
XLogP0.88
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid
CID 67924023
(2-cyanophenyl)methyl carbamate
CID 66644204
(2-nitrophenyl)methyl carbamate
CID 21490181
benzyl carbamate;heptahydrochloride
CID 141351835
(3-bromo-2-chlorophenyl)methyl carbamate
CID 175597039
(4-phenylphenyl)methyl carbamate
CID 123751479
[2-(3-oxobutanoyloxymethyl)phenyl]methyl 3-oxobutanoate
CID 70128159
(2-ethoxy-3-pyridinyl)methyl carbamate
CID 175042613
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
(2-propylphenyl)methyl acetate
CID 18363688

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoyloxymethyl)phenyl]methyl carbamate?
The IUPAC name of [2-(carbamoyloxymethyl)phenyl]methyl carbamate (CID 23175354) is [2-(carbamoyloxymethyl)phenyl]methyl carbamate.
What is the SMILES notation for [2-(carbamoyloxymethyl)phenyl]methyl carbamate?
The canonical SMILES for [2-(carbamoyloxymethyl)phenyl]methyl carbamate is NC(=O)OCc1ccccc1COC(N)=O.
What is the InChIKey of [2-(carbamoyloxymethyl)phenyl]methyl carbamate?
The InChIKey is BPYZVOXTUVMQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c11-9(13)15-5-7-3-1-2-4-8(7)6-16-10(12)14/h1-4H,5-6H2,(H2,11,13)(H2,12,14).
What are the key properties of [2-(carbamoyloxymethyl)phenyl]methyl carbamate?
[2-(carbamoyloxymethyl)phenyl]methyl carbamate has a molecular weight of 224.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoyloxymethyl)phenyl]methyl carbamate is sourced from PubChem (CID 23175354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).