N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide

C23H27N3O3 — CID 134027600

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCc2nccn2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C23H27N3O3/c1-28-20-14-19(15-21(16-20)29-2)8-9-23(27)25-11-10-22-24-12-13-26(22)17-18-6-4-3-5-7-18/h3-7,12-16H,8-11,17H2,1-2H3,(H,25,27)
InChIKeyUMNFRCLHIUHTNZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.24
Rot. Bonds10

About N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide (PubChem CID 134027600) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
PubChem CID134027600
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCc2nccn2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C23H27N3O3/c1-28-20-14-19(15-21(16-20)29-2)8-9-23(27)25-11-10-22-24-12-13-26(22)17-18-6-4-3-5-7-18/h3-7,12-16H,8-11,17H2,1-2H3,(H,25,27)
InChIKeyUMNFRCLHIUHTNZ-UHFFFAOYSA-N
XLogP3.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 134027637
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134039804
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 134039594
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 134039558
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-methylphenoxy)propanamide
CID 134039599
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide (CID 134027600) is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCCc2nccn2Cc2ccccc2)cc(OC)c1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is UMNFRCLHIUHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-28-20-14-19(15-21(16-20)29-2)8-9-23(27)25-11-10-22-24-12-13-26(22)17-18-6-4-3-5-7-18/h3-7,12-16H,8-11,17H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 393.49 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 134027600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).