[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate

C18H20N2O6 — CID 108865595

IUPAC[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H20N2O6/c1-4-25-18(22)26-13-7-5-12(6-8-13)19-17(21)20-15-10-9-14(23-2)11-16(15)24-3/h5-11H,4H2,1-3H3,(H2,19,20,21)
InChIKeyFPWGCUKZZQPCPH-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.88
Rot. Bonds6

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

[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate (PubChem CID 108865595) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is [4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
PubChem CID108865595
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H20N2O6/c1-4-25-18(22)26-13-7-5-12(6-8-13)19-17(21)20-15-10-9-14(23-2)11-16(15)24-3/h5-11H,4H2,1-3H3,(H2,19,20,21)
InChIKeyFPWGCUKZZQPCPH-UHFFFAOYSA-N
XLogP3.88
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865660
ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930567
ethyl (6S)-6-[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 92517911
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 969986
N-[4-[3-[(2,4-dimethoxyphenyl)carbamoylamino]prop-1-ynyl]phenyl]acetamide
CID 90554177
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate?
The IUPAC name of [4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate (CID 108865595) is [4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate?
The canonical SMILES for [4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of [4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate?
The InChIKey is FPWGCUKZZQPCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-4-25-18(22)26-13-7-5-12(6-8-13)19-17(21)20-15-10-9-14(23-2)11-16(15)24-3/h5-11H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of [4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate?
[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate has a molecular weight of 360.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate is sourced from PubChem (CID 108865595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).