N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C12H21F3N2O — CID 60683035

IUPACN-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)NCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-8(2)16-6-11(18)17(7-12(13,14)15)9(3)10-4-5-10/h8-10,16H,4-7H2,1-3H3
InChIKeyXSGZZMBNCPBIDL-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.17
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60683035) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60683035
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)NCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-8(2)16-6-11(18)17(7-12(13,14)15)9(3)10-4-5-10/h8-10,16H,4-7H2,1-3H3
InChIKeyXSGZZMBNCPBIDL-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60683035) is N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)NCC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XSGZZMBNCPBIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(2)16-6-11(18)17(7-12(13,14)15)9(3)10-4-5-10/h8-10,16H,4-7H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 266.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60683035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).