3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide

C15H22N2O4 — CID 79646943

IUPAC3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C15H22N2O4/c1-17-15(14(16)18)5-4-10(9-15)21-13-7-11(19-2)6-12(8-13)20-3/h6-8,10,17H,4-5,9H2,1-3H3,(H2,16,18)
InChIKeyDZYTUCPBMVGJAB-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.08
Rot. Bonds6

About 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide

3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79646943) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79646943
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C15H22N2O4/c1-17-15(14(16)18)5-4-10(9-15)21-13-7-11(19-2)6-12(8-13)20-3/h6-8,10,17H,4-5,9H2,1-3H3,(H2,16,18)
InChIKeyDZYTUCPBMVGJAB-UHFFFAOYSA-N
XLogP1.08
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methylamino)-3-(4-methylphenoxy)cyclopentane-1-carboxamide
CID 79648973
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide
CID 79647720
3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
CID 79648806
1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
CID 79647749
1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide
CID 79649389
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648842
3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648862
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637419
3-(3,5-dimethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647745
1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide
CID 79649110
3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646685
3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79644677

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide (CID 79646943) is 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(Oc2cc(OC)cc(OC)c2)C1.
What is the InChIKey of 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is DZYTUCPBMVGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17-15(14(16)18)5-4-10(9-15)21-13-7-11(19-2)6-12(8-13)20-3/h6-8,10,17H,4-5,9H2,1-3H3,(H2,16,18).
What are the key properties of 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79646943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).