N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide

C13H14N4O3 — CID 81257160

IUPACN-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)n2ccnc2)c1
InChIInChI=1S/C13H14N4O3/c1-20-8-12(18)15-10-3-2-4-11(7-10)16-13(19)17-6-5-14-9-17/h2-7,9H,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyVJYMBCROKYODAT-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.55
Rot. Bonds4

About N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide

N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide (PubChem CID 81257160) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
PubChem CID81257160
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)n2ccnc2)c1
InChIInChI=1S/C13H14N4O3/c1-20-8-12(18)15-10-3-2-4-11(7-10)16-13(19)17-6-5-14-9-17/h2-7,9H,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyVJYMBCROKYODAT-UHFFFAOYSA-N
XLogP1.55
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide
CID 81257020
N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
CID 72895830
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
CID 62748713
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide
CID 81257482
N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
CID 81258005
N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
CID 81257543

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide (CID 81257160) is N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide is COCC(=O)Nc1cccc(NC(=O)n2ccnc2)c1.
What is the InChIKey of N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide?
The InChIKey is VJYMBCROKYODAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-8-12(18)15-10-3-2-4-11(7-10)16-13(19)17-6-5-14-9-17/h2-7,9H,8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide?
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).