methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate

C18H18N2O6 — CID 17175462

IUPACmethyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H18N2O6/c1-24-14-8-7-12(10-15(14)25-2)17(22)20-19-16(21)11-5-4-6-13(9-11)18(23)26-3/h4-10H,1-3H3,(H,19,21)(H,20,22)
InChIKeySBUKHWRSJKLRJF-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.57
Rot. Bonds5

About methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate

methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate (PubChem CID 17175462) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
PubChem CID17175462
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Namemethyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H18N2O6/c1-24-14-8-7-12(10-15(14)25-2)17(22)20-19-16(21)11-5-4-6-13(9-11)18(23)26-3/h4-10H,1-3H3,(H,19,21)(H,20,22)
InChIKeySBUKHWRSJKLRJF-UHFFFAOYSA-N
XLogP1.57
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
methyl 3-(benzamidocarbamoyl)benzoate
CID 17175438
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
methyl 3-[[(4-acetamidobenzoyl)amino]carbamoyl]benzoate
CID 17175396
3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide
CID 31890706
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
CID 159558349
CID 159558349

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate (CID 17175462) is methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate is COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate?
The InChIKey is SBUKHWRSJKLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-24-14-8-7-12(10-15(14)25-2)17(22)20-19-16(21)11-5-4-6-13(9-11)18(23)26-3/h4-10H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate?
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate has a molecular weight of 358.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate is sourced from PubChem (CID 17175462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).