methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate

C10H13NO3 — CID 61044601

IUPACmethyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-11(10(13)14-2)7-8-3-5-9(12)6-4-8/h3-6,12H,7H2,1-2H3
InChIKeyLULLQOYWZHZSBV-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.59
Rot. Bonds2

About methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate

methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate (PubChem CID 61044601) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
PubChem CID61044601
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-11(10(13)14-2)7-8-3-5-9(12)6-4-8/h3-6,12H,7H2,1-2H3
InChIKeyLULLQOYWZHZSBV-UHFFFAOYSA-N
XLogP1.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate
CID 115190601
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 61146195
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 78973192
3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 54893745
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate
CID 138047168
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123
1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea
CID 47031870

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate (CID 61044601) is methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate is COC(=O)N(C)Cc1ccc(O)cc1.
What is the InChIKey of methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate?
The InChIKey is LULLQOYWZHZSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11(10(13)14-2)7-8-3-5-9(12)6-4-8/h3-6,12H,7H2,1-2H3.
What are the key properties of methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate?
methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate has a molecular weight of 195.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 61044601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).