methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate

C15H17N3O3 — CID 82559442

IUPACmethyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1ccnc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H17N3O3/c1-10(15(20)21-3)18-8-7-16-14(18)12-5-4-6-13(9-12)17-11(2)19/h4-10H,1-3H3,(H,17,19)
InChIKeyQVJFJPJBTAIHBY-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.24
Rot. Bonds4

About methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate

methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate (PubChem CID 82559442) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate
PubChem CID82559442
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1ccnc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H17N3O3/c1-10(15(20)21-3)18-8-7-16-14(18)12-5-4-6-13(9-12)17-11(2)19/h4-10H,1-3H3,(H,17,19)
InChIKeyQVJFJPJBTAIHBY-UHFFFAOYSA-N
XLogP2.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide
CID 54922651
2-[2-(3-methylphenyl)imidazol-1-yl]propanamide
CID 82559003
methyl 2-[2-(4-nitrophenyl)imidazol-1-yl]propanoate
CID 82561246
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
methyl 2-[2-[(3-aminophenyl)methyl]imidazol-1-yl]propanoate
CID 82558682
2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 60814510
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide
CID 82559472
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate?
The IUPAC name of methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate (CID 82559442) is methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate.
What is the SMILES notation for methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate?
The canonical SMILES for methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate is COC(=O)C(C)n1ccnc1-c1cccc(NC(C)=O)c1.
What is the InChIKey of methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate?
The InChIKey is QVJFJPJBTAIHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(15(20)21-3)18-8-7-16-14(18)12-5-4-6-13(9-12)17-11(2)19/h4-10H,1-3H3,(H,17,19).
What are the key properties of methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate?
methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate has a molecular weight of 287.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate is sourced from PubChem (CID 82559442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).