ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate

C19H20N2O6 — CID 108537547

IUPACethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H20N2O6/c1-2-26-19(25)27-14-9-7-13(8-10-14)17(23)20-11-12-21-18(24)15-5-3-4-6-16(15)22/h3-10,22H,2,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyUIDDRYALYINWAK-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.09
Rot. Bonds7

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

ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate (PubChem CID 108537547) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
PubChem CID108537547
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Nameethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H20N2O6/c1-2-26-19(25)27-14-9-7-13(8-10-14)17(23)20-11-12-21-18(24)15-5-3-4-6-16(15)22/h3-10,22H,2,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyUIDDRYALYINWAK-UHFFFAOYSA-N
XLogP2.09
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
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-fluorobenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108537531
ethyl [4-[3-[(2-methylbenzoyl)amino]propylcarbamoyl]phenyl] carbonate
CID 108932363
ethyl [4-[[4-[(2-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930579
[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108570522
ethyl [4-[[3-[[(2-hydroxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931936
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108929821
[4-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537544
[4-[2-[(3,4-dichlorobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537528
[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537565
ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
[4-[2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108929872
[4-[2-[(5-bromofuran-2-carbonyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537549

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate (CID 108537547) is ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)NCCNC(=O)c2ccccc2O)cc1.
What is the InChIKey of ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate?
The InChIKey is UIDDRYALYINWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-2-26-19(25)27-14-9-7-13(8-10-14)17(23)20-11-12-21-18(24)15-5-3-4-6-16(15)22/h3-10,22H,2,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate?
ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate has a molecular weight of 372.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate is sourced from PubChem (CID 108537547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).