methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate

C26H26N2O5 — CID 42366604

IUPACmethyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)Cc2ccccc2C)cc(NC(=O)c2ccccc2OC)c1
InChIInChI=1S/C26H26N2O5/c1-17-8-4-5-9-19(17)15-24(29)27-16-18-12-20(26(31)33-3)14-21(13-18)28-25(30)22-10-6-7-11-23(22)32-2/h4-14H,15-16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeySHUJKCJVDYINQK-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.90
Rot. Bonds8

About methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate

methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate (PubChem CID 42366604) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
PubChem CID42366604
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Namemethyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)Cc2ccccc2C)cc(NC(=O)c2ccccc2OC)c1
InChIInChI=1S/C26H26N2O5/c1-17-8-4-5-9-19(17)15-24(29)27-16-18-12-20(26(31)33-3)14-21(13-18)28-25(30)22-10-6-7-11-23(22)32-2/h4-14H,15-16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeySHUJKCJVDYINQK-UHFFFAOYSA-N
XLogP3.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate with MolForge

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Related Compounds

methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate
CID 26332211
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
CID 42406364
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
CID 7919593
methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 113000009
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 110783236
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate (CID 42366604) is methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate is COC(=O)c1cc(CNC(=O)Cc2ccccc2C)cc(NC(=O)c2ccccc2OC)c1.
What is the InChIKey of methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate?
The InChIKey is SHUJKCJVDYINQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-17-8-4-5-9-19(17)15-24(29)27-16-18-12-20(26(31)33-3)14-21(13-18)28-25(30)22-10-6-7-11-23(22)32-2/h4-14H,15-16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate?
methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate has a molecular weight of 446.50 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate is sourced from PubChem (CID 42366604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).