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

C18H25N3O3 — CID 155531729

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide
SMILESCOc1ccc(C(C)C(=O)NCCCn2cncc2C)cc1OC
InChIInChI=1S/C18H25N3O3/c1-13-11-19-12-21(13)9-5-8-20-18(22)14(2)15-6-7-16(23-3)17(10-15)24-4/h6-7,10-12,14H,5,8-9H2,1-4H3,(H,20,22)
InChIKeyCSDLJNYWBJSPFY-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.52
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide (PubChem CID 155531729) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide
PubChem CID155531729
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide
SMILESCOc1ccc(C(C)C(=O)NCCCn2cncc2C)cc1OC
InChIInChI=1S/C18H25N3O3/c1-13-11-19-12-21(13)9-5-8-20-18(22)14(2)15-6-7-16(23-3)17(10-15)24-4/h6-7,10-12,14H,5,8-9H2,1-4H3,(H,20,22)
InChIKeyCSDLJNYWBJSPFY-UHFFFAOYSA-N
XLogP2.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.52
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

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
2-(4-ethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 17582891
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidineacetamide
CID 16116564
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
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 155532055
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-phenylpropanamide
CID 155534568
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclobutane-1-carboxamide
CID 155541815
2-(3,4-dimethoxyphenyl)-2-methyl-N-[3-(5-methylimidazol-1-yl)propyl]propanamide
CID 155547313

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide (CID 155531729) is 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide is COc1ccc(C(C)C(=O)NCCCn2cncc2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide?
The InChIKey is CSDLJNYWBJSPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-11-19-12-21(13)9-5-8-20-18(22)14(2)15-6-7-16(23-3)17(10-15)24-4/h6-7,10-12,14H,5,8-9H2,1-4H3,(H,20,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide?
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.52, 8 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]propanamide is sourced from PubChem (CID 155531729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).