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

C16H24N2O2 — CID 79648842

IUPAC3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(Oc2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H24N2O2/c1-4-18-16(15(17)19)6-5-13(10-16)20-14-8-11(2)7-12(3)9-14/h7-9,13,18H,4-6,10H2,1-3H3,(H2,17,19)
InChIKeySXWPTKWGILIZFG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds5

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

3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 79648842) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
PubChem CID79648842
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(Oc2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H24N2O2/c1-4-18-16(15(17)19)6-5-13(10-16)20-14-8-11(2)7-12(3)9-14/h7-9,13,18H,4-6,10H2,1-3H3,(H2,17,19)
InChIKeySXWPTKWGILIZFG-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide (CID 79648842) is 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(Oc2cc(C)cc(C)c2)C1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is SXWPTKWGILIZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-18-16(15(17)19)6-5-13(10-16)20-14-8-11(2)7-12(3)9-14/h7-9,13,18H,4-6,10H2,1-3H3,(H2,17,19).
What are the key properties of 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79648842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).