1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide

C19H25N3O3 — CID 44549630

IUPAC1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCn3cncc3C)CC2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-14-12-20-13-22(14)10-4-9-21-18(23)19(7-8-19)15-5-6-16(24-2)17(11-15)25-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,21,23)
InChIKeyZUYXFJZTYPXYHE-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.45
Rot. Bonds8

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

1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 44549630) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID44549630
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCn3cncc3C)CC2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-14-12-20-13-22(14)10-4-9-21-18(23)19(7-8-19)15-5-6-16(24-2)17(11-15)25-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,21,23)
InChIKeyZUYXFJZTYPXYHE-UHFFFAOYSA-N
XLogP2.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.45
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

N-(3-(1H-imidazol-1-yl)propyl)-1-(3,4-dimethoxyphenyl)cyclopropanecarbothioamide
CID 6539215
1-(1-(3-Methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl)-1-butanone
CID 9915813
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
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
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
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide
CID 155567263

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide (CID 44549630) is 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)NCCCn3cncc3C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is ZUYXFJZTYPXYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-12-20-13-22(14)10-4-9-21-18(23)19(7-8-19)15-5-6-16(24-2)17(11-15)25-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,21,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 44549630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).