methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate

C11H15NO3 — CID 61044422

IUPACmethyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C11H15NO3/c1-8(12(2)11(14)15-3)9-6-4-5-7-10(9)13/h4-8,13H,1-3H3
InChIKeyDABHSBILOVOTJY-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.15
Rot. Bonds2

About methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate

methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate (PubChem CID 61044422) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
PubChem CID61044422
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C11H15NO3/c1-8(12(2)11(14)15-3)9-6-4-5-7-10(9)13/h4-8,13H,1-3H3
InChIKeyDABHSBILOVOTJY-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
CID 54874331
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 112725664
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 62590459
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 76894927
(2R)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929396
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-phenylacetamide
CID 60953156

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate (CID 61044422) is methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate is COC(=O)N(C)C(C)c1ccccc1O.
What is the InChIKey of methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate?
The InChIKey is DABHSBILOVOTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(12(2)11(14)15-3)9-6-4-5-7-10(9)13/h4-8,13H,1-3H3.
What are the key properties of methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate?
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate has a molecular weight of 209.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 61044422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).