2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide

C11H23F2N3O — CID 107494579

IUPAC2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(CCN)CC(F)F
InChIInChI=1S/C11H23F2N3O/c1-3-4-6-15-11(17)9(2)16(7-5-14)8-10(12)13/h9-10H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyNDQSWDADUWSGNH-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.82
Rot. Bonds9

About 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide (PubChem CID 107494579) has the molecular formula C11H23F2N3O and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
PubChem CID107494579
Molecular FormulaC11H23F2N3O
Molecular Weight251.32 g/mol
Exact Mass251.18
IUPAC Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(CCN)CC(F)F
InChIInChI=1S/C11H23F2N3O/c1-3-4-6-15-11(17)9(2)16(7-5-14)8-10(12)13/h9-10H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyNDQSWDADUWSGNH-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.82
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

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
CID 107494446
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
CID 107494561
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
CID 107494666
2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide
CID 63225439
ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62026762
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-butylpropanamide
CID 54987379
N,N'-dibutyl-2-fluoropropanediamide
CID 141391063
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
CID 63762461
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide?
The IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide (CID 107494579) is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide?
The canonical SMILES for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide is CCCCNC(=O)C(C)N(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide?
The InChIKey is NDQSWDADUWSGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O/c1-3-4-6-15-11(17)9(2)16(7-5-14)8-10(12)13/h9-10H,3-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide?
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide has a molecular weight of 251.32 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide is sourced from PubChem (CID 107494579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).