N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide

C13H16N4O3 — CID 141178379

IUPACN-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C2N=C(N)N(C)C2=O)c1
InChIInChI=1S/C13H16N4O3/c1-17-12(19)11(16-13(17)14)8-4-3-5-9(6-8)15-10(18)7-20-2/h3-6,11H,7H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyMQDMVCFEXVGWRZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.10
Rot. Bonds4

About N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide

N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide (PubChem CID 141178379) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide
PubChem CID141178379
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C2N=C(N)N(C)C2=O)c1
InChIInChI=1S/C13H16N4O3/c1-17-12(19)11(16-13(17)14)8-4-3-5-9(6-8)15-10(18)7-20-2/h3-6,11H,7H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyMQDMVCFEXVGWRZ-UHFFFAOYSA-N
XLogP0.10
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 66387466
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methoxyacetamide
CID 42805294
methyl 4-[4-[2-amino-4-[3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-5-oxoimidazol-4-yl]piperidine-1-carbonyl]benzoate
CID 58946133
2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide
CID 168708498
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38397427
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 11638988
N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxyacetamide
CID 168507417
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide (CID 141178379) is N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(C2N=C(N)N(C)C2=O)c1.
What is the InChIKey of N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide?
The InChIKey is MQDMVCFEXVGWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-17-12(19)11(16-13(17)14)8-4-3-5-9(6-8)15-10(18)7-20-2/h3-6,11H,7H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide?
N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide has a molecular weight of 276.30 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1-methyl-5-oxo-4H-imidazol-4-yl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 141178379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).