N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide

C20H28N4O3 — CID 165177168

IUPACN-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(NCCCn3ccnc3)CCCC2)cc1OC
InChIInChI=1S/C20H28N4O3/c1-26-17-7-6-16(14-18(17)27-2)23-19(25)20(8-3-4-9-20)22-10-5-12-24-13-11-21-15-24/h6-7,11,13-15,22H,3-5,8-10,12H2,1-2H3,(H,23,25)
InChIKeyWDXHJZKKBLAFLI-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.83
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide

N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide (PubChem CID 165177168) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide
PubChem CID165177168
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(NCCCn3ccnc3)CCCC2)cc1OC
InChIInChI=1S/C20H28N4O3/c1-26-17-7-6-16(14-18(17)27-2)23-19(25)20(8-3-4-9-20)22-10-5-12-24-13-11-21-15-24/h6-7,11,13-15,22H,3-5,8-10,12H2,1-2H3,(H,23,25)
InChIKeyWDXHJZKKBLAFLI-UHFFFAOYSA-N
XLogP2.83
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1-(3-imidazol-1-ylpropanoylamino)cyclopropane-1-carboxamide
CID 165177176
N-(3,4-dimethoxyphenyl)-1-[3-[5-(methylamino)imidazol-1-yl]propanoylamino]cyclopentane-1-carboxamide
CID 165177170
1-(3,4-dimethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea;ethane;4-isothiocyanato-1,2-dimethoxybenzene
CID 145463609
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
(E)-3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 6310678
1-(benzylcarbamoylamino)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 33330452
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
N-(3-imidazol-1-ylpropyl)-3,4,5-trimethoxyaniline
CID 61494818
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
1-(3,4-dimethoxyphenyl)-3-[(2R)-3-imidazol-1-yl-2-methylpropyl]thiourea
CID 6539199
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111213512

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide (CID 165177168) is N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(NCCCn3ccnc3)CCCC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide?
The InChIKey is WDXHJZKKBLAFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-26-17-7-6-16(14-18(17)27-2)23-19(25)20(8-3-4-9-20)22-10-5-12-24-13-11-21-15-24/h6-7,11,13-15,22H,3-5,8-10,12H2,1-2H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide?
N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 165177168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).