N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide

C9H18F2N2O2 — CID 103205439

IUPACN-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(CCN)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-7(2-4-12)13-9(14)3-5-15-6-8(10)11/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyZIKVZJVVHMTLTM-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.51
Rot. Bonds8

About N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide

N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205439) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205439
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC NameN-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(CCN)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-7(2-4-12)13-9(14)3-5-15-6-8(10)11/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyZIKVZJVVHMTLTM-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.51
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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Related Compounds

4-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 103206025
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212483
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106116164
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103525153
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 107562818
N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205523
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822809
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
2-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205835
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
CID 103206146

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103205439) is N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide is CC(CCN)NC(=O)CCOCC(F)F.
What is the InChIKey of N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is ZIKVZJVVHMTLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-7(2-4-12)13-9(14)3-5-15-6-8(10)11/h7-8H,2-6,12H2,1H3,(H,13,14).
What are the key properties of N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 224.25 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).