2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N2O — CID 54872184

IUPAC2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CNCC1CC1
InChIInChI=1S/C13H23F3N2O/c1-3-11(4-2)18(9-13(14,15)16)12(19)8-17-7-10-5-6-10/h10-11,17H,3-9H2,1-2H3
InChIKeyXMELOBUXWKADRZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54872184) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54872184
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CNCC1CC1
InChIInChI=1S/C13H23F3N2O/c1-3-11(4-2)18(9-13(14,15)16)12(19)8-17-7-10-5-6-10/h10-11,17H,3-9H2,1-2H3
InChIKeyXMELOBUXWKADRZ-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 54872184) is 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)N(CC(F)(F)F)C(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XMELOBUXWKADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-11(4-2)18(9-13(14,15)16)12(19)8-17-7-10-5-6-10/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54872184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).