2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide

C11H20F3N3O3 — CID 60946570

IUPAC2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H20F3N3O3/c1-2-20-5-3-4-17(7-11(12,13)14)10(19)8(15)6-9(16)18/h8H,2-7,15H2,1H3,(H2,16,18)
InChIKeyPXKSHRXABKEYTM-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.01
Rot. Bonds9

About 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide

2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide (PubChem CID 60946570) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide
PubChem CID60946570
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC Name2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H20F3N3O3/c1-2-20-5-3-4-17(7-11(12,13)14)10(19)8(15)6-9(16)18/h8H,2-7,15H2,1H3,(H2,16,18)
InChIKeyPXKSHRXABKEYTM-UHFFFAOYSA-N
XLogP0.01
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide
CID 54871257
2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide
CID 54871558
2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 54871734
2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide
CID 54871736
2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 54871745
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871746
2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 54871759
2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871760
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871774
Methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54872075
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide
CID 54872078
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide
CID 54872174

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide?
The IUPAC name of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide (CID 60946570) is 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide?
The canonical SMILES for 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide is CCOCCCN(CC(F)(F)F)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is PXKSHRXABKEYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c1-2-20-5-3-4-17(7-11(12,13)14)10(19)8(15)6-9(16)18/h8H,2-7,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide?
2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide has a molecular weight of 299.29 g/mol, XLogP of 0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide is sourced from PubChem (CID 60946570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).