methyl 2-[(3-ethoxybenzoyl)amino]benzoate

C17H17NO4 — CID 881681

IUPACmethyl 2-[(3-ethoxybenzoyl)amino]benzoate
SMILESCCOc1cccc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C17H17NO4/c1-3-22-13-8-6-7-12(11-13)16(19)18-15-10-5-4-9-14(15)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyFOMCCWPCTKWJLV-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.12
Rot. Bonds5

About methyl 2-[(3-ethoxybenzoyl)amino]benzoate

methyl 2-[(3-ethoxybenzoyl)amino]benzoate (PubChem CID 881681) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-[(3-ethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethoxybenzoyl)amino]benzoate
PubChem CID881681
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-[(3-ethoxybenzoyl)amino]benzoate
SMILESCCOc1cccc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C17H17NO4/c1-3-22-13-8-6-7-12(11-13)16(19)18-15-10-5-4-9-14(15)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyFOMCCWPCTKWJLV-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-ethoxybenzoyl)carbamothioylamino]benzoate
CID 4957681
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
methyl 3-ethoxybenzoate
CID 3267781
3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 4957459
2-[(3-ethoxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 4957748
methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874617

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(3-ethoxybenzoyl)amino]benzoate (CID 881681) is methyl 2-[(3-ethoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(3-ethoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(3-ethoxybenzoyl)amino]benzoate is CCOc1cccc(C(=O)Nc2ccccc2C(=O)OC)c1.
What is the InChIKey of methyl 2-[(3-ethoxybenzoyl)amino]benzoate?
The InChIKey is FOMCCWPCTKWJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-22-13-8-6-7-12(11-13)16(19)18-15-10-5-4-9-14(15)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[(3-ethoxybenzoyl)amino]benzoate?
methyl 2-[(3-ethoxybenzoyl)amino]benzoate has a molecular weight of 299.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 881681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).