phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate

C15H15NO3 — CID 64592873

IUPACphenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1cccc(O)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H15NO3/c1-16(11-12-6-5-7-13(17)10-12)15(18)19-14-8-3-2-4-9-14/h2-10,17H,11H2,1H3
InChIKeyPOYGLHULJOBUAJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.02
Rot. Bonds3

About phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate

phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate (PubChem CID 64592873) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
PubChem CID64592873
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namephenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1cccc(O)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H15NO3/c1-16(11-12-6-5-7-13(17)10-12)15(18)19-14-8-3-2-4-9-14/h2-10,17H,11H2,1H3
InChIKeyPOYGLHULJOBUAJ-UHFFFAOYSA-N
XLogP3.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
CID 13371954
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate (CID 64592873) is phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate is CN(Cc1cccc(O)c1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate?
The InChIKey is POYGLHULJOBUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-16(11-12-6-5-7-13(17)10-12)15(18)19-14-8-3-2-4-9-14/h2-10,17H,11H2,1H3.
What are the key properties of phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate?
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate has a molecular weight of 257.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 64592873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).