N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide

C14H17N3O — CID 46339273

IUPACN-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide
SMILESCc1cccc(NC(=O)CCn2ccnc2)c1C
InChIInChI=1S/C14H17N3O/c1-11-4-3-5-13(12(11)2)16-14(18)6-8-17-9-7-15-10-17/h3-5,7,9-10H,6,8H2,1-2H3,(H,16,18)
InChIKeyJSLXIGLWGHCMHM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.53
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide

N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide (PubChem CID 46339273) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide
PubChem CID46339273
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide
SMILESCc1cccc(NC(=O)CCn2ccnc2)c1C
InChIInChI=1S/C14H17N3O/c1-11-4-3-5-13(12(11)2)16-14(18)6-8-17-9-7-15-10-17/h3-5,7,9-10H,6,8H2,1-2H3,(H,16,18)
InChIKeyJSLXIGLWGHCMHM-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N'-bis(2,3-dimethylphenyl)butanediamide
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1-[3-(2,3-dimethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470518
bis(but-2-enedioic acid);N-(2,6-dimethylphenyl)-4-imidazol-1-ylbutanamide
CID 67910793
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
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6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid
CID 63643768
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
4-imidazol-1-yl-1-(2-methylphenyl)butan-2-one
CID 20518887
N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124285
N-(2,3-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474610
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
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N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-imidazol-1-ylpropanamide
CID 60804470

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide (CID 46339273) is N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide is Cc1cccc(NC(=O)CCn2ccnc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide?
The InChIKey is JSLXIGLWGHCMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-4-3-5-13(12(11)2)16-14(18)6-8-17-9-7-15-10-17/h3-5,7,9-10H,6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide?
N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 46339273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).