ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate

C19H26N2O6 — CID 108929893

IUPACethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)CC2CCOCC2)cc1
InChIInChI=1S/C19H26N2O6/c1-2-26-19(24)27-16-5-3-15(4-6-16)18(23)21-10-9-20-17(22)13-14-7-11-25-12-8-14/h3-6,14H,2,7-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyCQJICTMRTDDUQE-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.88
Rot. Bonds8

About ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate

ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate (PubChem CID 108929893) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
PubChem CID108929893
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Nameethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)CC2CCOCC2)cc1
InChIInChI=1S/C19H26N2O6/c1-2-26-19(24)27-16-5-3-15(4-6-16)18(23)21-10-9-20-17(22)13-14-7-11-25-12-8-14/h3-6,14H,2,7-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyCQJICTMRTDDUQE-UHFFFAOYSA-N
XLogP1.88
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.88
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

ethyl [4-[[2-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] carbonate
CID 108931107
[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537565
[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108570522
ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108929821
ethyl [4-[3-[(2-thiophen-2-ylacetyl)amino]propylcarbamoyl]phenyl] carbonate
CID 108932322
[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-[(5-bromofuran-2-carbonyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537549
[4-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537544
ethyl [4-[2-[(2-fluorobenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108537531
ethyl [4-[3-[[2-(2-methoxyethoxy)acetyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932364

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate (CID 108929893) is ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)NCCNC(=O)CC2CCOCC2)cc1.
What is the InChIKey of ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate?
The InChIKey is CQJICTMRTDDUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-2-26-19(24)27-16-5-3-15(4-6-16)18(23)21-10-9-20-17(22)13-14-7-11-25-12-8-14/h3-6,14H,2,7-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate?
ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate has a molecular weight of 378.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate is sourced from PubChem (CID 108929893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).