[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate

C17H18N2O4 — CID 108865154

IUPAC[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
SMILESCCOc1ccc(NC(=O)Nc2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C17H18N2O4/c1-3-22-15-9-7-13(8-10-15)18-17(21)19-14-5-4-6-16(11-14)23-12(2)20/h4-11H,3H2,1-2H3,(H2,18,19,21)
InChIKeyLCBSHVIMYMZKFY-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.65
Rot. Bonds5

About [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate

[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate (PubChem CID 108865154) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
PubChem CID108865154
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
SMILESCCOc1ccc(NC(=O)Nc2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C17H18N2O4/c1-3-22-15-9-7-13(8-10-15)18-17(21)19-14-5-4-6-16(11-14)23-12(2)20/h4-11H,3H2,1-2H3,(H2,18,19,21)
InChIKeyLCBSHVIMYMZKFY-UHFFFAOYSA-N
XLogP3.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
[3-(pyrimidin-2-ylcarbamoylamino)phenyl] acetate
CID 108865196
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927655
1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea
CID 69451896
[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
CID 108865153
[3-(2-acetamidoethylcarbamoylamino)phenyl] acetate
CID 108865308
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate?
The IUPAC name of [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate (CID 108865154) is [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate.
What is the SMILES notation for [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate?
The canonical SMILES for [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate is CCOc1ccc(NC(=O)Nc2cccc(OC(C)=O)c2)cc1.
What is the InChIKey of [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate?
The InChIKey is LCBSHVIMYMZKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-22-15-9-7-13(8-10-15)18-17(21)19-14-5-4-6-16(11-14)23-12(2)20/h4-11H,3H2,1-2H3,(H2,18,19,21).
What are the key properties of [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate?
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate has a molecular weight of 314.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate is sourced from PubChem (CID 108865154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).