N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

C22H29N3O3 — CID 119062092

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(c3nccn3C)C3CC3)CCCC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-25-13-12-23-20(25)19(15-6-7-15)24-21(26)22(10-4-5-11-22)16-8-9-17(27-2)18(14-16)28-3/h8-9,12-15,19H,4-7,10-11H2,1-3H3,(H,24,26)
InChIKeyOILFXIHJHQQXOL-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.52
Rot. Bonds7

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 119062092) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID119062092
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(c3nccn3C)C3CC3)CCCC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-25-13-12-23-20(25)19(15-6-7-15)24-21(26)22(10-4-5-11-22)16-8-9-17(27-2)18(14-16)28-3/h8-9,12-15,19H,4-7,10-11H2,1-3H3,(H,24,26)
InChIKeyOILFXIHJHQQXOL-UHFFFAOYSA-N
XLogP3.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 84597029
1-(4-methoxyphenyl)-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 95806841
1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide
CID 119058740
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide
CID 91791815
1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 110438036
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
[1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 118794801
6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
CID 129487026
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (CID 119062092) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)NC(c3nccn3C)C3CC3)CCCC2)cc1OC.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is OILFXIHJHQQXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-25-13-12-23-20(25)19(15-6-7-15)24-21(26)22(10-4-5-11-22)16-8-9-17(27-2)18(14-16)28-3/h8-9,12-15,19H,4-7,10-11H2,1-3H3,(H,24,26).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119062092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).