1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide

C17H24N2O2 — CID 79647749

IUPAC1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
SMILESCc1cc(C)cc(OC2CCC(NC3CC3)(C(N)=O)C2)c1
InChIInChI=1S/C17H24N2O2/c1-11-7-12(2)9-15(8-11)21-14-5-6-17(10-14,16(18)20)19-13-3-4-13/h7-9,13-14,19H,3-6,10H2,1-2H3,(H2,18,20)
InChIKeyZCBIGNUBAZZXKB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.21
Rot. Bonds5

About 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide

1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide (PubChem CID 79647749) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
PubChem CID79647749
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
SMILESCc1cc(C)cc(OC2CCC(NC3CC3)(C(N)=O)C2)c1
InChIInChI=1S/C17H24N2O2/c1-11-7-12(2)9-15(8-11)21-14-5-6-17(10-14,16(18)20)19-13-3-4-13/h7-9,13-14,19H,3-6,10H2,1-2H3,(H2,18,20)
InChIKeyZCBIGNUBAZZXKB-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide (CID 79647749) is 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide is Cc1cc(C)cc(OC2CCC(NC3CC3)(C(N)=O)C2)c1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide?
The InChIKey is ZCBIGNUBAZZXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-7-12(2)9-15(8-11)21-14-5-6-17(10-14,16(18)20)19-13-3-4-13/h7-9,13-14,19H,3-6,10H2,1-2H3,(H2,18,20).
What are the key properties of 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide?
1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79647749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).