3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide

C22H23N3O4 — CID 71703575

IUPAC3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-25-12-11-23-22(25)21(27)16-5-4-6-17(14-16)24-20(26)10-8-15-7-9-18(28-2)19(13-15)29-3/h4-7,9,11-14H,8,10H2,1-3H3,(H,24,26)
InChIKeyHENNFJKRKMHNRK-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.24
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide (PubChem CID 71703575) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide
PubChem CID71703575
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-25-12-11-23-22(25)21(27)16-5-4-6-17(14-16)24-20(26)10-8-15-7-9-18(28-2)19(13-15)29-3/h4-7,9,11-14H,8,10H2,1-3H3,(H,24,26)
InChIKeyHENNFJKRKMHNRK-UHFFFAOYSA-N
XLogP3.24
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 43027725
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 110744582
3-(3,4-dimethoxyphenyl)-N-imidazo[1,2-a]pyridin-8-ylpropanamide
CID 110745748
butyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoate
CID 19220656
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide
CID 91639034
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360462
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 75490431
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45494122

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide (CID 71703575) is 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
The InChIKey is HENNFJKRKMHNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-25-12-11-23-22(25)21(27)16-5-4-6-17(14-16)24-20(26)10-8-15-7-9-18(28-2)19(13-15)29-3/h4-7,9,11-14H,8,10H2,1-3H3,(H,24,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide has a molecular weight of 393.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide is sourced from PubChem (CID 71703575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).