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

C18H20N2O4 — CID 108874271

IUPACethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C18H20N2O4/c1-3-23-14-11-9-13(10-12-14)19-18(22)20-16-8-6-5-7-15(16)17(21)24-4-2/h5-12H,3-4H2,1-2H3,(H2,19,20,22)
InChIKeyPAKSGHBINGEXQN-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.91
Rot. Bonds6

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

ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate (PubChem CID 108874271) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
PubChem CID108874271
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C18H20N2O4/c1-3-23-14-11-9-13(10-12-14)19-18(22)20-16-8-6-5-7-15(16)17(21)24-4-2/h5-12H,3-4H2,1-2H3,(H2,19,20,22)
InChIKeyPAKSGHBINGEXQN-UHFFFAOYSA-N
XLogP3.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
CID 134104797
ethyl 2-[[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355958
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea
CID 970476
ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991960
ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
CID 108991348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate (CID 108874271) is ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate?
The InChIKey is PAKSGHBINGEXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-23-14-11-9-13(10-12-14)19-18(22)20-16-8-6-5-7-15(16)17(21)24-4-2/h5-12H,3-4H2,1-2H3,(H2,19,20,22).
What are the key properties of ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate?
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate has a molecular weight of 328.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108874271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).