ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate

C17H18N2O3 — CID 28748768

IUPACethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(N)c(C)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-3-22-17(21)12-4-7-14(8-5-12)19-16(20)13-6-9-15(18)11(2)10-13/h4-10H,3,18H2,1-2H3,(H,19,20)
InChIKeyRUTZALCEWOADAE-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.01
Rot. Bonds4

About ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate

ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate (PubChem CID 28748768) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
PubChem CID28748768
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(N)c(C)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-3-22-17(21)12-4-7-14(8-5-12)19-16(20)13-6-9-15(18)11(2)10-13/h4-10H,3,18H2,1-2H3,(H,19,20)
InChIKeyRUTZALCEWOADAE-UHFFFAOYSA-N
XLogP3.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
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ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate
CID 51200273
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
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CID 109048450
ethyl 4-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]benzoate
CID 86605115

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate (CID 28748768) is ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(N)c(C)c2)cc1.
What is the InChIKey of ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate?
The InChIKey is RUTZALCEWOADAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-22-17(21)12-4-7-14(8-5-12)19-16(20)13-6-9-15(18)11(2)10-13/h4-10H,3,18H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate?
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 28748768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).