3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide

C16H21N3O — CID 63929732

IUPAC3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
SMILESCCc1ccc(CCC(=O)N(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-3-13-4-6-14(7-5-13)8-9-16(20)19(2)12-15-17-10-11-18-15/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,17,18)
InChIKeyRZTXLVALUQJDCL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds6

About 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide

3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide (PubChem CID 63929732) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
PubChem CID63929732
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
SMILESCCc1ccc(CCC(=O)N(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-3-13-4-6-14(7-5-13)8-9-16(20)19(2)12-15-17-10-11-18-15/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,17,18)
InChIKeyRZTXLVALUQJDCL-UHFFFAOYSA-N
XLogP2.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63930998
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 63929126
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63939271
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63939272
3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64519617
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide (CID 63929732) is 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide is CCc1ccc(CCC(=O)N(C)Cc2ncc[nH]2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
The InChIKey is RZTXLVALUQJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-13-4-6-14(7-5-13)8-9-16(20)19(2)12-15-17-10-11-18-15/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide?
3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 63929732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).