ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate

C22H24F3NO3 — CID 162371505

IUPACethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1CC
InChIInChI=1S/C22H24F3NO3/c1-3-17-7-5-6-8-19(17)21(28)26(14-13-20(27)29-4-2)15-16-9-11-18(12-10-16)22(23,24)25/h5-12H,3-4,13-15H2,1-2H3
InChIKeyPKMPRDSDWDXSKB-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.86
Rot. Bonds8

About ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate

ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate (PubChem CID 162371505) has the molecular formula C22H24F3NO3 and a molecular weight of 407.43 g/mol. Its IUPAC name is ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate
PubChem CID162371505
Molecular FormulaC22H24F3NO3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Nameethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1CC
InChIInChI=1S/C22H24F3NO3/c1-3-17-7-5-6-8-19(17)21(28)26(14-13-20(27)29-4-2)15-16-9-11-18(12-10-16)22(23,24)25/h5-12H,3-4,13-15H2,1-2H3
InChIKeyPKMPRDSDWDXSKB-UHFFFAOYSA-N
XLogP4.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate 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

N-benzyl-N,2-dimethylbenzamide
CID 779170
2-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)ethyl propionate
CID 714766
N-Benzyl-N-ethyl-2-methylbenzamide
CID 576969
N,N-diethyl-4-phenylbenzamide
CID 791562
Ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 127041516
Ethyl 4-(2-biphenylylcarbonyl)-1-piperazinecarboxylate
CID 976075
Ethyl 4-[2-(2-phenylethyl)benzoyl]-1-piperazinecarboxylate
CID 2977625
N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 24793197
N-methyl-N-phenethyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438430
Ethyl 2-[[4-[(2-methylphenyl)methylcarbamoyl]phenyl]methyl]butanoate
CID 127040017
4-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 127040580
ethyl (2E)-2-[[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methylidene]butanoate
CID 127040582

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate?
The IUPAC name of ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate (CID 162371505) is ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate?
The canonical SMILES for ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate is CCOC(=O)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1CC.
What is the InChIKey of ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate?
The InChIKey is PKMPRDSDWDXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO3/c1-3-17-7-5-6-8-19(17)21(28)26(14-13-20(27)29-4-2)15-16-9-11-18(12-10-16)22(23,24)25/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate?
ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate has a molecular weight of 407.43 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-ethylbenzoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoate is sourced from PubChem (CID 162371505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).