(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2O — CID 97237697

IUPAC(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N(C)CC1CCC1
InChIInChI=1S/C11H19F3N2O/c1-8(10(17)15-7-11(12,13)14)16(2)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,15,17)/t8-/m0/s1
InChIKeyXRESUCWFBPPJEL-QMMMGPOBSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds5

About (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 97237697) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID97237697
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N(C)CC1CCC1
InChIInChI=1S/C11H19F3N2O/c1-8(10(17)15-7-11(12,13)14)16(2)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,15,17)/t8-/m0/s1
InChIKeyXRESUCWFBPPJEL-QMMMGPOBSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 97237697) is (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](C(=O)NCC(F)(F)F)N(C)CC1CCC1.
What is the InChIKey of (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XRESUCWFBPPJEL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(10(17)15-7-11(12,13)14)16(2)6-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,15,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 252.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 97237697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).