methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate

C19H20N2O5 — CID 109052619

IUPACmethyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C19H20N2O5/c1-25-10-9-20-17(22)13-5-3-6-14(11-13)18(23)21-16-8-4-7-15(12-16)19(24)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFVXDHHHSBLMYOC-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.10
Rot. Bonds7

About methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate

methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109052619) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109052619
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C19H20N2O5/c1-25-10-9-20-17(22)13-5-3-6-14(11-13)18(23)21-16-8-4-7-15(12-16)19(24)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFVXDHHHSBLMYOC-UHFFFAOYSA-N
XLogP2.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053241
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
3-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052615
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
methyl 3-[[5-(butylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102052
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate (CID 109052619) is methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate is COCCNC(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is FVXDHHHSBLMYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-10-9-20-17(22)13-5-3-6-14(11-13)18(23)21-16-8-4-7-15(12-16)19(24)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate?
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109052619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).