ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate

C18H18N2O5 — CID 108992396

IUPACethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C18H18N2O5/c1-3-25-17(22)14-6-4-5-7-15(14)20-18(23)19-13-10-8-12(9-11-13)16(21)24-2/h4-11H,3H2,1-2H3,(H2,19,20,23)
InChIKeyMCHGQKNLRDNIQE-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.29
Rot. Bonds5

About ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate

ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate (PubChem CID 108992396) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
PubChem CID108992396
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Nameethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C18H18N2O5/c1-3-25-17(22)14-6-4-5-7-15(14)20-18(23)19-13-10-8-12(9-11-13)16(21)24-2/h4-11H,3H2,1-2H3,(H2,19,20,23)
InChIKeyMCHGQKNLRDNIQE-UHFFFAOYSA-N
XLogP3.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108500027
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991960
ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 108991621
ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
CID 134104797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate (CID 108992396) is ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate?
The InChIKey is MCHGQKNLRDNIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-3-25-17(22)14-6-4-5-7-15(14)20-18(23)19-13-10-8-12(9-11-13)16(21)24-2/h4-11H,3H2,1-2H3,(H2,19,20,23).
What are the key properties of ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate?
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate has a molecular weight of 342.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108992396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).