2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C23H27F3N2O4 — CID 55827221

IUPAC2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C23H27F3N2O4/c1-30-19-11-21(32-3)20(31-2)10-16(19)12-27-22(29)14-28(17-8-9-17)13-15-6-4-5-7-18(15)23(24,25)26/h4-7,10-11,17H,8-9,12-14H2,1-3H3,(H,27,29)
InChIKeyXSJSKBKJDINSOI-UHFFFAOYSA-N
MW452.47 g/mol
LogP4.01
Rot. Bonds10

About 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 55827221) has the molecular formula C23H27F3N2O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID55827221
Molecular FormulaC23H27F3N2O4
Molecular Weight452.47 g/mol
Exact Mass452.19
IUPAC Name2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C23H27F3N2O4/c1-30-19-11-21(32-3)20(31-2)10-16(19)12-27-22(29)14-28(17-8-9-17)13-15-6-4-5-7-18(15)23(24,25)26/h4-7,10-11,17H,8-9,12-14H2,1-3H3,(H,27,29)
InChIKeyXSJSKBKJDINSOI-UHFFFAOYSA-N
XLogP4.01
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34620482
N-(cyclohexylmethyl)-2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]acetamide
CID 55828921
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8906703
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636
2-[cyclopropyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113147875
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 55445713
2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18145118
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34600439

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 55827221) is 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is XSJSKBKJDINSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O4/c1-30-19-11-21(32-3)20(31-2)10-16(19)12-27-22(29)14-28(17-8-9-17)13-15-6-4-5-7-18(15)23(24,25)26/h4-7,10-11,17H,8-9,12-14H2,1-3H3,(H,27,29).
What are the key properties of 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 452.47 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55827221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).