N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

C16H25N3O2 — CID 122555851

IUPACN-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCOC1CCCC1)C1(Cn2ccnc2)CC1
InChIInChI=1S/C16H25N3O2/c20-15(16(6-7-16)12-19-10-9-17-13-19)18-8-3-11-21-14-4-1-2-5-14/h9-10,13-14H,1-8,11-12H2,(H,18,20)
InChIKeyXYJLKSBSXZHQJY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.13
Rot. Bonds8

About N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 122555851) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID122555851
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCOC1CCCC1)C1(Cn2ccnc2)CC1
InChIInChI=1S/C16H25N3O2/c20-15(16(6-7-16)12-19-10-9-17-13-19)18-8-3-11-21-14-4-1-2-5-14/h9-10,13-14H,1-8,11-12H2,(H,18,20)
InChIKeyXYJLKSBSXZHQJY-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide
CID 115448369
1-amino-N-(3-cyclopentyloxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119309030
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 118773762
N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122570338
N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide
CID 63128684
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 133124489
2-[(3S,4R)-4-[[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]amino]oxan-3-yl]oxyacetic acid
CID 91771607
1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 131951634
(2R)-N-(3-cyclohexyloxypropyl)-2-(2-methylimidazol-1-yl)propanamide
CID 126448035
1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
CID 64552335

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 122555851) is N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is O=C(NCCCOC1CCCC1)C1(Cn2ccnc2)CC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is XYJLKSBSXZHQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-15(16(6-7-16)12-19-10-9-17-13-19)18-8-3-11-21-14-4-1-2-5-14/h9-10,13-14H,1-8,11-12H2,(H,18,20).
What are the key properties of N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 122555851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).