2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid

C25H25NO4 — CID 10525218

IUPAC2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid
SMILESCN(CCc1ccccc1)C(=O)Cc1cc(OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C25H25NO4/c1-26(15-14-19-8-4-2-5-9-19)24(27)17-21-16-22(12-13-23(21)25(28)29)30-18-20-10-6-3-7-11-20/h2-13,16H,14-15,17-18H2,1H3,(H,28,29)
InChIKeyGUTRZMALLIWWMQ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.21
Rot. Bonds9

About 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid

2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid (PubChem CID 10525218) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid
PubChem CID10525218
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid
SMILESCN(CCc1ccccc1)C(=O)Cc1cc(OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C25H25NO4/c1-26(15-14-19-8-4-2-5-9-19)24(27)17-21-16-22(12-13-23(21)25(28)29)30-18-20-10-6-3-7-11-20/h2-13,16H,14-15,17-18H2,1H3,(H,28,29)
InChIKeyGUTRZMALLIWWMQ-UHFFFAOYSA-N
XLogP4.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid 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 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid?
The IUPAC name of 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid (CID 10525218) is 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid.
What is the SMILES notation for 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid?
The canonical SMILES for 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid is CN(CCc1ccccc1)C(=O)Cc1cc(OCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid?
The InChIKey is GUTRZMALLIWWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-26(15-14-19-8-4-2-5-9-19)24(27)17-21-16-22(12-13-23(21)25(28)29)30-18-20-10-6-3-7-11-20/h2-13,16H,14-15,17-18H2,1H3,(H,28,29).
What are the key properties of 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid?
2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid has a molecular weight of 403.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid is sourced from PubChem (CID 10525218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).