2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide

C11H21F2N3O2 — CID 107494585

IUPAC2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide
SMILESNCCN(CC(=O)NC1CCOCC1)CC(F)F
InChIInChI=1S/C11H21F2N3O2/c12-10(13)7-16(4-3-14)8-11(17)15-9-1-5-18-6-2-9/h9-10H,1-8,14H2,(H,15,17)
InChIKeyQLLFCZFQZKVBSP-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.19
Rot. Bonds7

About 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 107494585) has the molecular formula C11H21F2N3O2 and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide
PubChem CID107494585
Molecular FormulaC11H21F2N3O2
Molecular Weight265.30 g/mol
Exact Mass265.16
IUPAC Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide
SMILESNCCN(CC(=O)NC1CCOCC1)CC(F)F
InChIInChI=1S/C11H21F2N3O2/c12-10(13)7-16(4-3-14)8-11(17)15-9-1-5-18-6-2-9/h9-10H,1-8,14H2,(H,15,17)
InChIKeyQLLFCZFQZKVBSP-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
CID 63099178
2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide
CID 120872328
2-[2-aminoethyl(ethyl)amino]-N-cyclopropylacetamide
CID 61349324
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 107494621
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide
CID 63099380
2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide
CID 107494484
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
CID 113237467
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide
CID 63097786
N-cyclopropyl-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107485046
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N-(oxan-4-yl)acetamide
CID 55181499
2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277104

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide (CID 107494585) is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide is NCCN(CC(=O)NC1CCOCC1)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is QLLFCZFQZKVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O2/c12-10(13)7-16(4-3-14)8-11(17)15-9-1-5-18-6-2-9/h9-10H,1-8,14H2,(H,15,17).
What are the key properties of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide?
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 265.30 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 107494585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).