N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide

C13H15N3O3 — CID 81257543

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
SMILESCCOc1ccc(NC(=O)n2ccnc2)cc1CO
InChIInChI=1S/C13H15N3O3/c1-2-19-12-4-3-11(7-10(12)8-17)15-13(18)16-6-5-14-9-16/h3-7,9,17H,2,8H2,1H3,(H,15,18)
InChIKeyRJDDFXNFEHCXNC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.85
Rot. Bonds4

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide (PubChem CID 81257543) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
PubChem CID81257543
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
SMILESCCOc1ccc(NC(=O)n2ccnc2)cc1CO
InChIInChI=1S/C13H15N3O3/c1-2-19-12-4-3-11(7-10(12)8-17)15-13(18)16-6-5-14-9-16/h3-7,9,17H,2,8H2,1H3,(H,15,18)
InChIKeyRJDDFXNFEHCXNC-UHFFFAOYSA-N
XLogP1.85
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
CID 61013976
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64950704
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide (CID 81257543) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide is CCOc1ccc(NC(=O)n2ccnc2)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide?
The InChIKey is RJDDFXNFEHCXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-19-12-4-3-11(7-10(12)8-17)15-13(18)16-6-5-14-9-16/h3-7,9,17H,2,8H2,1H3,(H,15,18).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).