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

C21H18N2O4 — CID 108865140

IUPAC[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H18N2O4/c1-15(24)26-20-9-5-6-17(14-20)23-21(25)22-16-10-12-19(13-11-16)27-18-7-3-2-4-8-18/h2-14H,1H3,(H2,22,23,25)
InChIKeyRDPYOWGXDYRNTD-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.05
Rot. Bonds5

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

[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate (PubChem CID 108865140) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is [3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
PubChem CID108865140
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H18N2O4/c1-15(24)26-20-9-5-6-17(14-20)23-21(25)22-16-10-12-19(13-11-16)27-18-7-3-2-4-8-18/h2-14H,1H3,(H2,22,23,25)
InChIKeyRDPYOWGXDYRNTD-UHFFFAOYSA-N
XLogP5.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.05
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-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
CID 108865153
[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate
CID 108865321
[3-(benzhydrylcarbamoylamino)phenyl] acetate
CID 108865115
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
[3-(pyrimidin-2-ylcarbamoylamino)phenyl] acetate
CID 108865196
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl] acetate
CID 108865068
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214

Frequently Asked Questions

What is the IUPAC name of [3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate?
The IUPAC name of [3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate (CID 108865140) is [3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate.
What is the SMILES notation for [3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate?
The canonical SMILES for [3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of [3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate?
The InChIKey is RDPYOWGXDYRNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-15(24)26-20-9-5-6-17(14-20)23-21(25)22-16-10-12-19(13-11-16)27-18-7-3-2-4-8-18/h2-14H,1H3,(H2,22,23,25).
What are the key properties of [3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate?
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate has a molecular weight of 362.39 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate is sourced from PubChem (CID 108865140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).