2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide

C15H18N2O3 — CID 102610591

IUPAC2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(NC(=O)COc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H18N2O3/c1-2-19-14-7-12(8-14)17-15(18)10-20-13-5-3-11(9-16)4-6-13/h3-6,12,14H,2,7-8,10H2,1H3,(H,17,18)
InChIKeyKXDHDNSRCZBXTJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.62
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide

2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide (PubChem CID 102610591) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
PubChem CID102610591
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(NC(=O)COc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H18N2O3/c1-2-19-14-7-12(8-14)17-15(18)10-20-13-5-3-11(9-16)4-6-13/h3-6,12,14H,2,7-8,10H2,1H3,(H,17,18)
InChIKeyKXDHDNSRCZBXTJ-UHFFFAOYSA-N
XLogP1.62
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide (CID 102610591) is 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide is CCOC1CC(NC(=O)COc2ccc(C#N)cc2)C1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide?
The InChIKey is KXDHDNSRCZBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-19-14-7-12(8-14)17-15(18)10-20-13-5-3-11(9-16)4-6-13/h3-6,12,14H,2,7-8,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide?
2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 102610591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).