3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide

C11H21F3N2O — CID 62853477

IUPAC3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCNCC(C)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H21F3N2O/c1-5-15-6-9(4)10(17)16(8(2)3)7-11(12,13)14/h8-9,15H,5-7H2,1-4H3
InChIKeyKUGOUGWLTBZQEY-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.03
Rot. Bonds6

About 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide

3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 62853477) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID62853477
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCNCC(C)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H21F3N2O/c1-5-15-6-9(4)10(17)16(8(2)3)7-11(12,13)14/h8-9,15H,5-7H2,1-4H3
InChIKeyKUGOUGWLTBZQEY-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 62853477) is 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is CCNCC(C)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KUGOUGWLTBZQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-5-15-6-9(4)10(17)16(8(2)3)7-11(12,13)14/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 254.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 62853477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).