2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide

C13H16N4O2 — CID 81083217

IUPAC2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C13H16N4O2/c1-19-8-12(14)13(18)16-10-3-2-4-11(7-10)17-6-5-15-9-17/h2-7,9,12H,8,14H2,1H3,(H,16,18)
InChIKeyOGBFTXFIWIBHCH-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.78
Rot. Bonds5

About 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide

2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide (PubChem CID 81083217) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
PubChem CID81083217
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C13H16N4O2/c1-19-8-12(14)13(18)16-10-3-2-4-11(7-10)17-6-5-15-9-17/h2-7,9,12H,8,14H2,1H3,(H,16,18)
InChIKeyOGBFTXFIWIBHCH-UHFFFAOYSA-N
XLogP0.78
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
CID 60853484
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)-3-methoxypropanamide
CID 81082774
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
CID 81071300
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
CID 120985942

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide (CID 81083217) is 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide?
The InChIKey is OGBFTXFIWIBHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-8-12(14)13(18)16-10-3-2-4-11(7-10)17-6-5-15-9-17/h2-7,9,12H,8,14H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide?
2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide has a molecular weight of 260.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide is sourced from PubChem (CID 81083217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).