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

C16H16N2O4 — CID 108871366

IUPACethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C16H16N2O4/c1-2-22-15(20)11-7-9-12(10-8-11)17-16(21)18-13-5-3-4-6-14(13)19/h3-10,19H,2H2,1H3,(H2,17,18,21)
InChIKeyCUXWBJJDQDGCQD-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.21
Rot. Bonds4

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

ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate (PubChem CID 108871366) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
PubChem CID108871366
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nameethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C16H16N2O4/c1-2-22-15(20)11-7-9-12(10-8-11)17-16(21)18-13-5-3-4-6-14(13)19/h3-10,19H,2H2,1H3,(H2,17,18,21)
InChIKeyCUXWBJJDQDGCQD-UHFFFAOYSA-N
XLogP3.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 108991621
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 4-[[2,4-bis(phenylcarbamoylamino)phenyl]sulfonylamino]benzoate
CID 146421969

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate (CID 108871366) is ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2ccccc2O)cc1.
What is the InChIKey of ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate?
The InChIKey is CUXWBJJDQDGCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-22-15(20)11-7-9-12(10-8-11)17-16(21)18-13-5-3-4-6-14(13)19/h3-10,19H,2H2,1H3,(H2,17,18,21).
What are the key properties of ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate?
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate has a molecular weight of 300.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108871366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).