N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide

C10H20F2N2O2 — CID 103205425

IUPACN-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCN)C(=O)CCOCC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-8(2)14(5-4-13)10(15)3-6-16-7-9(11)12/h8-9H,3-7,13H2,1-2H3
InChIKeyATWPPTGSWFEHNG-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.85
Rot. Bonds8

About N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide

N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide (PubChem CID 103205425) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
PubChem CID103205425
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC NameN-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCN)C(=O)CCOCC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-8(2)14(5-4-13)10(15)3-6-16-7-9(11)12/h8-9H,3-7,13H2,1-2H3
InChIKeyATWPPTGSWFEHNG-UHFFFAOYSA-N
XLogP0.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide (CID 103205425) is N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide is CC(C)N(CCN)C(=O)CCOCC(F)F.
What is the InChIKey of N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide?
The InChIKey is ATWPPTGSWFEHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-8(2)14(5-4-13)10(15)3-6-16-7-9(11)12/h8-9H,3-7,13H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide?
N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide has a molecular weight of 238.28 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 103205425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).