2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide

C24H29N3O3 — CID 155534568

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide
SMILESCOc1ccc(C(Cc2ccccc2)C(=O)NCCCn2cncc2C)cc1OC
InChIInChI=1S/C24H29N3O3/c1-18-16-25-17-27(18)13-7-12-26-24(28)21(14-19-8-5-4-6-9-19)20-10-11-22(29-2)23(15-20)30-3/h4-6,8-11,15-17,21H,7,12-14H2,1-3H3,(H,26,28)
InChIKeyPVWKESNJTIPTNF-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.74
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide

2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide (PubChem CID 155534568) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide
PubChem CID155534568
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide
SMILESCOc1ccc(C(Cc2ccccc2)C(=O)NCCCn2cncc2C)cc1OC
InChIInChI=1S/C24H29N3O3/c1-18-16-25-17-27(18)13-7-12-26-24(28)21(14-19-8-5-4-6-9-19)20-10-11-22(29-2)23(15-20)30-3/h4-6,8-11,15-17,21H,7,12-14H2,1-3H3,(H,26,28)
InChIKeyPVWKESNJTIPTNF-UHFFFAOYSA-N
XLogP3.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-(6-Phenyl-2-oxohex-3-yl)-2-(3,4-dimethoxybenzyl)-purin-6one
CID 135457900
1-(1-(3-Methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl)-1-butanone
CID 9915813
cis-2-[(E)-4-(1H-Imidazol-1-yl)but-2-enyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
CID 46227291
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidineacetamide
CID 16116564
2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1-(4-methoxy-benzyl)-2-oxo-ethyl]-3-(3-methyl-3H-imidazol-4-yl)-propionamide
CID 44269246
1-(3,4-Dimethoxyphenyl)-N-(3-(5-methyl-1H-imidazol-1-yl)propyl)cyclopropanecarbothioamide
CID 44549233
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 44549630
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3,4-dimethoxybenzamide
CID 134369568
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-pyridin-3-ylpropanamide
CID 155520479
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 155523704
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide
CID 155531729
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 155532055

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide (CID 155534568) is 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide is COc1ccc(C(Cc2ccccc2)C(=O)NCCCn2cncc2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide?
The InChIKey is PVWKESNJTIPTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-16-25-17-27(18)13-7-12-26-24(28)21(14-19-8-5-4-6-9-19)20-10-11-22(29-2)23(15-20)30-3/h4-6,8-11,15-17,21H,7,12-14H2,1-3H3,(H,26,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide?
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide has a molecular weight of 407.51 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 155534568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).