N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide

C12H22F2N2O2 — CID 107493399

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide
SMILESNCCN(CC(F)F)C(=O)CCC1CCCCO1
InChIInChI=1S/C12H22F2N2O2/c13-11(14)9-16(7-6-15)12(17)5-4-10-3-1-2-8-18-10/h10-11H,1-9,15H2
InChIKeyIMBQJWPXKIZPHQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.39
Rot. Bonds7

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide (PubChem CID 107493399) 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)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide
PubChem CID107493399
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide
SMILESNCCN(CC(F)F)C(=O)CCC1CCCCO1
InChIInChI=1S/C12H22F2N2O2/c13-11(14)9-16(7-6-15)12(17)5-4-10-3-1-2-8-18-10/h10-11H,1-9,15H2
InChIKeyIMBQJWPXKIZPHQ-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-cyclopropyl-3-(oxan-2-yl)propanamide
CID 63952702
2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
N-(2-aminoethyl)-N-cyclobutyl-3-(oxolan-2-yl)propanamide
CID 102874215
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
N-(3-aminopropyl)-N-cyclohexyl-3-(oxolan-2-yl)propanamide
CID 65152218
N-(2-aminoethyl)-N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 113468413
N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide
CID 62735321
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836
N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide
CID 63952166
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide
CID 104555648

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide (CID 107493399) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide is NCCN(CC(F)F)C(=O)CCC1CCCCO1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide?
The InChIKey is IMBQJWPXKIZPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c13-11(14)9-16(7-6-15)12(17)5-4-10-3-1-2-8-18-10/h10-11H,1-9,15H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.39, 7 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)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 107493399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).