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

C22H31N3O3 — CID 119058740

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)CCCc3nccn3C)CCCC2)cc1OC
InChIInChI=1S/C22H31N3O3/c1-24-15-13-23-20(24)8-7-14-25(2)21(26)22(11-5-6-12-22)17-9-10-18(27-3)19(16-17)28-4/h9-10,13,15-16H,5-8,11-12,14H2,1-4H3
InChIKeyHGNZQXIOJGYERK-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.34
Rot. Bonds8

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

1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide (PubChem CID 119058740) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide
PubChem CID119058740
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)CCCc3nccn3C)CCCC2)cc1OC
InChIInChI=1S/C22H31N3O3/c1-24-15-13-23-20(24)8-7-14-25(2)21(26)22(11-5-6-12-22)17-9-10-18(27-3)19(16-17)28-4/h9-10,13,15-16H,5-8,11-12,14H2,1-4H3
InChIKeyHGNZQXIOJGYERK-UHFFFAOYSA-N
XLogP3.34
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide (CID 119058740) is 1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)N(C)CCCc3nccn3C)CCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide?
The InChIKey is HGNZQXIOJGYERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-24-15-13-23-20(24)8-7-14-25(2)21(26)22(11-5-6-12-22)17-9-10-18(27-3)19(16-17)28-4/h9-10,13,15-16H,5-8,11-12,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119058740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).