N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide

C11H22F2N2O2 — CID 106356701

IUPACN-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)C(CCN)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H22F2N2O2/c1-8(2)9(3-5-14)15-11(16)4-6-17-7-10(12)13/h8-10H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyHPOVBFLVXDBZSN-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.15
Rot. Bonds9

About N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide

N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 106356701) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID106356701
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)C(CCN)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H22F2N2O2/c1-8(2)9(3-5-14)15-11(16)4-6-17-7-10(12)13/h8-10H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyHPOVBFLVXDBZSN-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide (CID 106356701) is N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide is CC(C)C(CCN)NC(=O)CCOCC(F)F.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is HPOVBFLVXDBZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-8(2)9(3-5-14)15-11(16)4-6-17-7-10(12)13/h8-10H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 252.30 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 106356701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).