(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C22H34F3N3O2 — CID 95769157

IUPAC(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)[C@H](C(=O)NC[C@H]1CN(CC(C)C)CCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H34F3N3O2/c1-5-28(6-2)20(17-8-7-9-18(12-17)22(23,24)25)21(29)26-13-19-15-27(10-11-30-19)14-16(3)4/h7-9,12,16,19-20H,5-6,10-11,13-15H2,1-4H3,(H,26,29)/t19-,20-/m0/s1
InChIKeyKZISERCOKVKXSR-PMACEKPBSA-N
MW429.53 g/mol
LogP3.56
Rot. Bonds9

About (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 95769157) has the molecular formula C22H34F3N3O2 and a molecular weight of 429.53 g/mol. Its IUPAC name is (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID95769157
Molecular FormulaC22H34F3N3O2
Molecular Weight429.53 g/mol
Exact Mass429.26
IUPAC Name(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)[C@H](C(=O)NC[C@H]1CN(CC(C)C)CCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H34F3N3O2/c1-5-28(6-2)20(17-8-7-9-18(12-17)22(23,24)25)21(29)26-13-19-15-27(10-11-30-19)14-16(3)4/h7-9,12,16,19-20H,5-6,10-11,13-15H2,1-4H3,(H,26,29)/t19-,20-/m0/s1
InChIKeyKZISERCOKVKXSR-PMACEKPBSA-N
XLogP3.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 95769157) is (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CCN(CC)[C@H](C(=O)NC[C@H]1CN(CC(C)C)CCO1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KZISERCOKVKXSR-PMACEKPBSA-N. The full InChI is InChI=1S/C22H34F3N3O2/c1-5-28(6-2)20(17-8-7-9-18(12-17)22(23,24)25)21(29)26-13-19-15-27(10-11-30-19)14-16(3)4/h7-9,12,16,19-20H,5-6,10-11,13-15H2,1-4H3,(H,26,29)/t19-,20-/m0/s1.
What are the key properties of (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 429.53 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 95769157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).