methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate

C26H27NO4 — CID 122506995

IUPACmethyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate
SMILESCOC(=O)c1cc(C)c(NC(=O)c2cc(-c3cccc(CCO)c3)ccc2C)c(C)c1
InChIInChI=1S/C26H27NO4/c1-16-8-9-21(20-7-5-6-19(14-20)10-11-28)15-23(16)25(29)27-24-17(2)12-22(13-18(24)3)26(30)31-4/h5-9,12-15,28H,10-11H2,1-4H3,(H,27,29)
InChIKeyIKKDZNHVZUVVDT-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.85
Rot. Bonds6

About methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate

methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate (PubChem CID 122506995) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate
PubChem CID122506995
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Namemethyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate
SMILESCOC(=O)c1cc(C)c(NC(=O)c2cc(-c3cccc(CCO)c3)ccc2C)c(C)c1
InChIInChI=1S/C26H27NO4/c1-16-8-9-21(20-7-5-6-19(14-20)10-11-28)15-23(16)25(29)27-24-17(2)12-22(13-18(24)3)26(30)31-4/h5-9,12-15,28H,10-11H2,1-4H3,(H,27,29)
InChIKeyIKKDZNHVZUVVDT-UHFFFAOYSA-N
XLogP4.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate 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-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid
CID 78319440
3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate
CID 70293385
3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid
CID 78319377
methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate
CID 172648616
ethyl 3,5-dimethyl-4-[(3-phenylnaphthalene-1-carbonyl)amino]benzoate
CID 122506998
methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate
CID 10447048
methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
CID 108785438
methyl 3-(4-hydroxybutyl)benzoate
CID 25172820
3-[3-(2-hydroxyethyl)phenyl]phenol
CID 11413238
dimethyl 5-[3-(4-methylphenyl)phenyl]benzene-1,3-dicarboxylate
CID 15533553
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate
CID 66956173

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate?
The IUPAC name of methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate (CID 122506995) is methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate.
What is the SMILES notation for methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate?
The canonical SMILES for methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate is COC(=O)c1cc(C)c(NC(=O)c2cc(-c3cccc(CCO)c3)ccc2C)c(C)c1.
What is the InChIKey of methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate?
The InChIKey is IKKDZNHVZUVVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-16-8-9-21(20-7-5-6-19(14-20)10-11-28)15-23(16)25(29)27-24-17(2)12-22(13-18(24)3)26(30)31-4/h5-9,12-15,28H,10-11H2,1-4H3,(H,27,29).
What are the key properties of methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate?
methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate has a molecular weight of 417.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[3-(2-hydroxyethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoate is sourced from PubChem (CID 122506995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).