N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide

C10H20F2N2O2 — CID 103205455

IUPACN-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCCC(CCN)NC(=O)CCOCC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-2-8(3-5-13)14-10(15)4-6-16-7-9(11)12/h8-9H,2-7,13H2,1H3,(H,14,15)
InChIKeyNMVNUXPDIXMVDY-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.90
Rot. Bonds9

About N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide

N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205455) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205455
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC NameN-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCCC(CCN)NC(=O)CCOCC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-2-8(3-5-13)14-10(15)4-6-16-7-9(11)12/h8-9H,2-7,13H2,1H3,(H,14,15)
InChIKeyNMVNUXPDIXMVDY-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
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-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103205455) is N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide is CCC(CCN)NC(=O)CCOCC(F)F.
What is the InChIKey of N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is NMVNUXPDIXMVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-2-8(3-5-13)14-10(15)4-6-16-7-9(11)12/h8-9H,2-7,13H2,1H3,(H,14,15).
What are the key properties of N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 238.28 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).