1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide

C16H24N2O2 — CID 79649389

IUPAC1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2cc(C)cc(C)c2C)C1
InChIInChI=1S/C16H24N2O2/c1-10-7-11(2)12(3)14(8-10)20-13-5-6-16(9-13,18-4)15(17)19/h7-8,13,18H,5-6,9H2,1-4H3,(H2,17,19)
InChIKeyREQCZJDRCHGAFR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.99
Rot. Bonds4

About 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide

1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide (PubChem CID 79649389) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide
PubChem CID79649389
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2cc(C)cc(C)c2C)C1
InChIInChI=1S/C16H24N2O2/c1-10-7-11(2)12(3)14(8-10)20-13-5-6-16(9-13,18-4)15(17)19/h7-8,13,18H,5-6,9H2,1-4H3,(H2,17,19)
InChIKeyREQCZJDRCHGAFR-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide (CID 79649389) is 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(Oc2cc(C)cc(C)c2C)C1.
What is the InChIKey of 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide?
The InChIKey is REQCZJDRCHGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-7-11(2)12(3)14(8-10)20-13-5-6-16(9-13,18-4)15(17)19/h7-8,13,18H,5-6,9H2,1-4H3,(H2,17,19).
What are the key properties of 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide?
1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79649389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).