N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide

C12H22F2N2O2 — CID 107493230

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)N(CCN)CC(F)F)C1
InChIInChI=1S/C12H22F2N2O2/c1-2-18-10-5-9(6-10)7-12(17)16(4-3-15)8-11(13)14/h9-11H,2-8,15H2,1H3
InChIKeyCYBITQKHCXNLOY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.24
Rot. Bonds8

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 107493230) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID107493230
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)N(CCN)CC(F)F)C1
InChIInChI=1S/C12H22F2N2O2/c1-2-18-10-5-9(6-10)7-12(17)16(4-3-15)8-11(13)14/h9-11H,2-8,15H2,1H3
InChIKeyCYBITQKHCXNLOY-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide (CID 107493230) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)N(CCN)CC(F)F)C1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is CYBITQKHCXNLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-2-18-10-5-9(6-10)7-12(17)16(4-3-15)8-11(13)14/h9-11H,2-8,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 107493230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).