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

C12H24F2N2O2 — CID 114178164

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(C)C(CCN)NC(=O)CCOCC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-12(2,3)9(4-6-15)16-11(17)5-7-18-8-10(13)14/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyVUPVBMLUGKXREE-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.54
Rot. Bonds8

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

N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 114178164) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID114178164
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(C)C(CCN)NC(=O)CCOCC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-12(2,3)9(4-6-15)16-11(17)5-7-18-8-10(13)14/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyVUPVBMLUGKXREE-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.54
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-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide (CID 114178164) is N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide is CC(C)(C)C(CCN)NC(=O)CCOCC(F)F.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is VUPVBMLUGKXREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-12(2,3)9(4-6-15)16-11(17)5-7-18-8-10(13)14/h9-10H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 266.33 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 114178164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).