N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O — CID 55121139

IUPACN-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCNCCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-3-16-7-6-11(18)17(8-12(13,14)15)9(2)10-4-5-10/h9-10,16H,3-8H2,1-2H3
InChIKeyBGZVUFLCWGKLQF-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds7

About N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide

N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 55121139) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID55121139
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCNCCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-3-16-7-6-11(18)17(8-12(13,14)15)9(2)10-4-5-10/h9-10,16H,3-8H2,1-2H3
InChIKeyBGZVUFLCWGKLQF-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 55121139) is N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CCNCCC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BGZVUFLCWGKLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-3-16-7-6-11(18)17(8-12(13,14)15)9(2)10-4-5-10/h9-10,16H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 55121139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).