N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide

C14H17N3O2 — CID 112722731

IUPACN-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)n2ccnc2)cc1
InChIInChI=1S/C14H17N3O2/c1-3-19-13-6-4-12(5-7-13)10-16(2)14(18)17-9-8-15-11-17/h4-9,11H,3,10H2,1-2H3
InChIKeyJTKOLUUJIIOQAO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.38
Rot. Bonds4

About N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide

N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide (PubChem CID 112722731) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
PubChem CID112722731
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)n2ccnc2)cc1
InChIInChI=1S/C14H17N3O2/c1-3-19-13-6-4-12(5-7-13)10-16(2)14(18)17-9-8-15-11-17/h4-9,11H,3,10H2,1-2H3
InChIKeyJTKOLUUJIIOQAO-UHFFFAOYSA-N
XLogP2.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94273200
N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide
CID 112723515
N-methyl-N-propylimidazole-1-carboxamide
CID 78983424
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide
CID 78973053
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569435
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylimidazole-1-carboxamide
CID 112723531
N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide
CID 81268024
N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
CID 78906847

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide (CID 112722731) is N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide is CCOc1ccc(CN(C)C(=O)n2ccnc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide?
The InChIKey is JTKOLUUJIIOQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-13-6-4-12(5-7-13)10-16(2)14(18)17-9-8-15-11-17/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide?
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 112722731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).