methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate

C23H26F3NO4 — CID 175244064

IUPACmethyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(C(C)NC(=O)C(OCc2ccc(C(F)(F)F)cc2)C(C)C)cc1
InChIInChI=1S/C23H26F3NO4/c1-14(2)20(31-13-16-5-11-19(12-6-16)23(24,25)26)21(28)27-15(3)17-7-9-18(10-8-17)22(29)30-4/h5-12,14-15,20H,13H2,1-4H3,(H,27,28)
InChIKeyUMSOXPGVDLQDQU-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.91
Rot. Bonds8

About methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate

methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate (PubChem CID 175244064) has the molecular formula C23H26F3NO4 and a molecular weight of 437.46 g/mol. Its IUPAC name is methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate
PubChem CID175244064
Molecular FormulaC23H26F3NO4
Molecular Weight437.46 g/mol
Exact Mass437.18
IUPAC Namemethyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(C(C)NC(=O)C(OCc2ccc(C(F)(F)F)cc2)C(C)C)cc1
InChIInChI=1S/C23H26F3NO4/c1-14(2)20(31-13-16-5-11-19(12-6-16)23(24,25)26)21(28)27-15(3)17-7-9-18(10-8-17)22(29)30-4/h5-12,14-15,20H,13H2,1-4H3,(H,27,28)
InChIKeyUMSOXPGVDLQDQU-UHFFFAOYSA-N
XLogP4.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate 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

4-[1-[[2-[[3-(difluoromethoxy)-4-fluorophenyl]methoxy]-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 175244059
4-[1-[[2-[[3-(difluoromethoxy)phenyl]methoxy]-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 175244042
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985951
methyl 4-[(1S)-1-[[8-[[4-(trifluoromethyl)phenyl]methoxy]-2,7-naphthyridin-1-yl]amino]ethyl]benzoate
CID 145013791
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 42978956
methyl 4-[[[2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethyl]amino]methyl]benzoate
CID 138489249
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
methyl 4-[[2-amino-1-(4-tert-butylphenyl)ethoxy]methyl]benzoate
CID 10545197
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976
methyl 4-[1-[[2-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carbonyl]amino]ethyl]benzoate
CID 155390777

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate (CID 175244064) is methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate is COC(=O)c1ccc(C(C)NC(=O)C(OCc2ccc(C(F)(F)F)cc2)C(C)C)cc1.
What is the InChIKey of methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate?
The InChIKey is UMSOXPGVDLQDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3NO4/c1-14(2)20(31-13-16-5-11-19(12-6-16)23(24,25)26)21(28)27-15(3)17-7-9-18(10-8-17)22(29)30-4/h5-12,14-15,20H,13H2,1-4H3,(H,27,28).
What are the key properties of methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate?
methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate has a molecular weight of 437.46 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[[3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]butanoyl]amino]ethyl]benzoate is sourced from PubChem (CID 175244064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).