methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate

C11H15NO4 — CID 110663358

IUPACmethyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
SMILESCOC(=O)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C11H15NO4/c1-15-9-5-3-4-8(6-9)10(13)7-12-11(14)16-2/h3-6,10,13H,7H2,1-2H3,(H,12,14)
InChIKeyLMTJODJOFWMKTC-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.08
Rot. Bonds4

About methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate

methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate (PubChem CID 110663358) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
PubChem CID110663358
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
SMILESCOC(=O)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C11H15NO4/c1-15-9-5-3-4-8(6-9)10(13)7-12-11(14)16-2/h3-6,10,13H,7H2,1-2H3,(H,12,14)
InChIKeyLMTJODJOFWMKTC-UHFFFAOYSA-N
XLogP1.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111115210
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
CID 111115159
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate (CID 110663358) is methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate is COC(=O)NCC(O)c1cccc(OC)c1.
What is the InChIKey of methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate?
The InChIKey is LMTJODJOFWMKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9-5-3-4-8(6-9)10(13)7-12-11(14)16-2/h3-6,10,13H,7H2,1-2H3,(H,12,14).
What are the key properties of methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate?
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate has a molecular weight of 225.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 110663358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).