N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C12H23F3N2O — CID 54871723

IUPACN-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCNC(C)C
InChIInChI=1S/C12H23F3N2O/c1-9(2)7-17(8-12(13,14)15)11(18)5-6-16-10(3)4/h9-10,16H,5-8H2,1-4H3
InChIKeyXWODLLXRIQSYLM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.42
Rot. Bonds7

About N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 54871723) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID54871723
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCNC(C)C
InChIInChI=1S/C12H23F3N2O/c1-9(2)7-17(8-12(13,14)15)11(18)5-6-16-10(3)4/h9-10,16H,5-8H2,1-4H3
InChIKeyXWODLLXRIQSYLM-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 54871723) is N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(C)CN(CC(F)(F)F)C(=O)CCNC(C)C.
What is the InChIKey of N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XWODLLXRIQSYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9(2)7-17(8-12(13,14)15)11(18)5-6-16-10(3)4/h9-10,16H,5-8H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 268.32 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 54871723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).