[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate

C15H20N2O6 — CID 108570522

IUPAC[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)NCCNC(=O)c1ccc(OC(=O)OCC)cc1
InChIInChI=1S/C15H20N2O6/c1-3-21-14(19)17-10-9-16-13(18)11-5-7-12(8-6-11)23-15(20)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVDJBCMUHLMXHOB-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.70
Rot. Bonds7

About [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate

[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate (PubChem CID 108570522) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
PubChem CID108570522
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)NCCNC(=O)c1ccc(OC(=O)OCC)cc1
InChIInChI=1S/C15H20N2O6/c1-3-21-14(19)17-10-9-16-13(18)11-5-7-12(8-6-11)23-15(20)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVDJBCMUHLMXHOB-UHFFFAOYSA-N
XLogP1.70
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[(3,4-dichlorobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537528
ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108537547
[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537565
ethyl [4-[2-[(2-fluorobenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108537531
[4-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537544
ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108929821
[4-[2-[(5-bromofuran-2-carbonyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537549
ethyl [4-[3-[[(E)-3-methylpent-2-enoyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932436
ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate
CID 108537576
[4-[2-[2-(4-chlorophenoxy)propanoylamino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108929802
ethyl [4-[3-[(2-methylbenzoyl)amino]propylcarbamoyl]phenyl] carbonate
CID 108932363

Frequently Asked Questions

What is the IUPAC name of [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate (CID 108570522) is [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate is CCOC(=O)NCCNC(=O)c1ccc(OC(=O)OCC)cc1.
What is the InChIKey of [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate?
The InChIKey is VDJBCMUHLMXHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-3-21-14(19)17-10-9-16-13(18)11-5-7-12(8-6-11)23-15(20)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate?
[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate has a molecular weight of 324.33 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate is sourced from PubChem (CID 108570522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).