methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate

C11H13NO4 — CID 89030323

IUPACmethyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate
SMILESCOC(=O)N(CC=O)Cc1cccc(O)c1
InChIInChI=1S/C11H13NO4/c1-16-11(15)12(5-6-13)8-9-3-2-4-10(14)7-9/h2-4,6-7,14H,5,8H2,1H3
InChIKeyPAYAMDFGPRFDGR-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.16
Rot. Bonds4

About methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate

methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate (PubChem CID 89030323) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Namemethyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate
PubChem CID89030323
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate
SMILESCOC(=O)N(CC=O)Cc1cccc(O)c1
InChIInChI=1S/C11H13NO4/c1-16-11(15)12(5-6-13)8-9-3-2-4-10(14)7-9/h2-4,6-7,14H,5,8H2,1H3
InChIKeyPAYAMDFGPRFDGR-UHFFFAOYSA-N
XLogP1.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 10106358
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CID 54142007
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 84820781
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95772645
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide
CID 84592072
3-[benzyl(2-oxoethyl)amino]-3-oxopropanoic acid
CID 89326240
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
CID 110667269

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate?
The IUPAC name of methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate (CID 89030323) is methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate.
What is the SMILES notation for methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate?
The canonical SMILES for methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate is COC(=O)N(CC=O)Cc1cccc(O)c1.
What is the InChIKey of methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate?
The InChIKey is PAYAMDFGPRFDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-11(15)12(5-6-13)8-9-3-2-4-10(14)7-9/h2-4,6-7,14H,5,8H2,1H3.
What are the key properties of methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate?
methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate has a molecular weight of 223.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 89030323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).