ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate

C17H18N2O4 — CID 108865434

IUPACethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H18N2O4/c1-3-22-17(21)23-14-10-8-13(9-11-14)18-16(20)19-15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H2,18,19,20)
InChIKeyYHFXBEXAUBWSMX-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.17
Rot. Bonds4

About ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate

ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate (PubChem CID 108865434) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
PubChem CID108865434
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Nameethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H18N2O4/c1-3-22-17(21)23-14-10-8-13(9-11-14)18-16(20)19-15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H2,18,19,20)
InChIKeyYHFXBEXAUBWSMX-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865660
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
ethyl [4-[(2-phenylsulfanylphenyl)carbamoylamino]phenyl] carbonate
CID 108865530
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865595
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
CID 108865619
ethyl [4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl] carbonate
CID 108865631
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate?
The IUPAC name of ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate (CID 108865434) is ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate?
The canonical SMILES for ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate is CCOC(=O)Oc1ccc(NC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate?
The InChIKey is YHFXBEXAUBWSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-22-17(21)23-14-10-8-13(9-11-14)18-16(20)19-15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate?
ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate has a molecular weight of 314.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate is sourced from PubChem (CID 108865434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).