1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide

C15H22N2O3 — CID 79637862

IUPAC1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide
SMILESCCOc1ccccc1OC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C15H22N2O3/c1-2-19-12-7-3-4-8-13(12)20-11-6-5-9-15(17,10-11)14(16)18/h3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H2,16,18)
InChIKeyKCCVTWXDKVIGPK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds5

About 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide

1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide (PubChem CID 79637862) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide
PubChem CID79637862
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide
SMILESCCOc1ccccc1OC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C15H22N2O3/c1-2-19-12-7-3-4-8-13(12)20-11-6-5-9-15(17,10-11)14(16)18/h3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H2,16,18)
InChIKeyKCCVTWXDKVIGPK-UHFFFAOYSA-N
XLogP1.59
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide (CID 79637862) is 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide is CCOc1ccccc1OC1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide?
The InChIKey is KCCVTWXDKVIGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-12-7-3-4-8-13(12)20-11-6-5-9-15(17,10-11)14(16)18/h3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H2,16,18).
What are the key properties of 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide?
1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).