methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate

C26H26N2O6 — CID 42406364

IUPACmethyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(OC)cc(OC)c2)cc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C26H26N2O6/c1-32-22-13-19(14-23(15-22)33-2)25(30)27-16-18-9-20(26(31)34-3)12-21(10-18)28-24(29)11-17-7-5-4-6-8-17/h4-10,12-15H,11,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyPWLGKARIVALHLO-UHFFFAOYSA-N
MW462.50 g/mol
LogP3.60
Rot. Bonds9

About methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate

methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate (PubChem CID 42406364) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
PubChem CID42406364
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Namemethyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(OC)cc(OC)c2)cc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C26H26N2O6/c1-32-22-13-19(14-23(15-22)33-2)25(30)27-16-18-9-20(26(31)34-3)12-21(10-18)28-24(29)11-17-7-5-4-6-8-17/h4-10,12-15H,11,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyPWLGKARIVALHLO-UHFFFAOYSA-N
XLogP3.60
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate with MolForge

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Related Compounds

dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 26319198
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 42366604
2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852472
methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 26274916
methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate
CID 26332211
N-benzyl-3-iodo-5-methoxybenzamide;3-iodo-5-methoxybenzoic acid
CID 161242879
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate (CID 42406364) is methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate is COC(=O)c1cc(CNC(=O)c2cc(OC)cc(OC)c2)cc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate?
The InChIKey is PWLGKARIVALHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-32-22-13-19(14-23(15-22)33-2)25(30)27-16-18-9-20(26(31)34-3)12-21(10-18)28-24(29)11-17-7-5-4-6-8-17/h4-10,12-15H,11,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate?
methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate has a molecular weight of 462.50 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 42406364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).