N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide

C13H15N3O2 — CID 81257273

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)n1ccnc1
InChIInChI=1S/C13H15N3O2/c1-10(11-5-3-4-6-12(11)17)15(2)13(18)16-8-7-14-9-16/h3-10,17H,1-2H3
InChIKeyDWZOCTZATYGDNW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.25
Rot. Bonds2

About N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide

N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide (PubChem CID 81257273) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide
PubChem CID81257273
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)n1ccnc1
InChIInChI=1S/C13H15N3O2/c1-10(11-5-3-4-6-12(11)17)15(2)13(18)16-8-7-14-9-16/h3-10,17H,1-2H3
InChIKeyDWZOCTZATYGDNW-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 112725664
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
CID 62341012
N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide
CID 81268024
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
CID 164927407
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 81449728
N-benzyl-N-[2-(dimethylamino)ethyl]imidazole-1-carboxamide
CID 81257866
3-cyclopropyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbut-2-enamide
CID 127265601

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide (CID 81257273) is N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide is CC(c1ccccc1O)N(C)C(=O)n1ccnc1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide?
The InChIKey is DWZOCTZATYGDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(11-5-3-4-6-12(11)17)15(2)13(18)16-8-7-14-9-16/h3-10,17H,1-2H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide?
N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 81257273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).