1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide

C17H26N2O2 — CID 79647720

IUPAC1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2ccc(C(C)C)c(C)c2)C1
InChIInChI=1S/C17H26N2O2/c1-11(2)15-6-5-13(9-12(15)3)21-14-7-8-17(10-14,19-4)16(18)20/h5-6,9,11,14,19H,7-8,10H2,1-4H3,(H2,18,20)
InChIKeyQRFTVBWQWIBCBA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds5

About 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide

1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide (PubChem CID 79647720) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide
PubChem CID79647720
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2ccc(C(C)C)c(C)c2)C1
InChIInChI=1S/C17H26N2O2/c1-11(2)15-6-5-13(9-12(15)3)21-14-7-8-17(10-14,19-4)16(18)20/h5-6,9,11,14,19H,7-8,10H2,1-4H3,(H2,18,20)
InChIKeyQRFTVBWQWIBCBA-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-3-(4-methylphenoxy)cyclopentane-1-carboxamide
CID 79648973
3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646943
3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
CID 79648806
1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide
CID 79649389
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637419
1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
CID 79647749
3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79635080
1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644348
3-(3-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79648303
3-(3,5-dimethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647745
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649371

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide (CID 79647720) is 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(Oc2ccc(C(C)C)c(C)c2)C1.
What is the InChIKey of 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide?
The InChIKey is QRFTVBWQWIBCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)15-6-5-13(9-12(15)3)21-14-7-8-17(10-14,19-4)16(18)20/h5-6,9,11,14,19H,7-8,10H2,1-4H3,(H2,18,20).
What are the key properties of 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide?
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79647720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).