3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide

C22H31N3O2 — CID 143888797

IUPAC3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide
SMILESCCN(CCN(CC)C1CCC1)C(=O)C1CC(Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C22H31N3O2/c1-3-24(19-6-5-7-19)12-13-25(4-2)22(26)18-14-21(15-18)27-20-10-8-17(16-23)9-11-20/h8-11,18-19,21H,3-7,12-15H2,1-2H3
InChIKeyBMMBPZWZPNWZGO-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.44
Rot. Bonds9

About 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide

3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide (PubChem CID 143888797) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide
PubChem CID143888797
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide
SMILESCCN(CCN(CC)C1CCC1)C(=O)C1CC(Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C22H31N3O2/c1-3-24(19-6-5-7-19)12-13-25(4-2)22(26)18-14-21(15-18)27-20-10-8-17(16-23)9-11-20/h8-11,18-19,21H,3-7,12-15H2,1-2H3
InChIKeyBMMBPZWZPNWZGO-UHFFFAOYSA-N
XLogP3.44
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (3S)-3-[(4-cyanophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide?
The IUPAC name of 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide (CID 143888797) is 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide?
The canonical SMILES for 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide is CCN(CCN(CC)C1CCC1)C(=O)C1CC(Oc2ccc(C#N)cc2)C1.
What is the InChIKey of 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide?
The InChIKey is BMMBPZWZPNWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-24(19-6-5-7-19)12-13-25(4-2)22(26)18-14-21(15-18)27-20-10-8-17(16-23)9-11-20/h8-11,18-19,21H,3-7,12-15H2,1-2H3.
What are the key properties of 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide?
3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenoxy)-N-[2-[cyclobutyl(ethyl)amino]ethyl]-N-ethylcyclobutane-1-carboxamide is sourced from PubChem (CID 143888797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).