ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate

C17H18N4O5 — CID 108537576

IUPACethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C17H18N4O5/c1-2-25-17(24)26-13-5-3-12(4-6-13)15(22)20-9-10-21-16(23)14-11-18-7-8-19-14/h3-8,11H,2,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLNTPXIPAOKAIHE-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.17
Rot. Bonds7

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

ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate (PubChem CID 108537576) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate
PubChem CID108537576
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Nameethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C17H18N4O5/c1-2-25-17(24)26-13-5-3-12(4-6-13)15(22)20-9-10-21-16(23)14-11-18-7-8-19-14/h3-8,11H,2,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLNTPXIPAOKAIHE-UHFFFAOYSA-N
XLogP1.17
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]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

ethyl [4-[4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carbonyl]phenyl] carbonate
CID 108930118
[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108570522
[4-[2-[(3,4-dichlorobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537528
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108929821
ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108537547
[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537565
[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
N-[2-(naphthalene-2-carbonylamino)ethyl]pyrazine-2-carboxamide
CID 8990855
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate (CID 108537576) is ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1.
What is the InChIKey of ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate?
The InChIKey is LNTPXIPAOKAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-2-25-17(24)26-13-5-3-12(4-6-13)15(22)20-9-10-21-16(23)14-11-18-7-8-19-14/h3-8,11H,2,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate?
ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate has a molecular weight of 358.35 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[2-(pyrazine-2-carbonylamino)ethylcarbamoyl]phenyl] carbonate is sourced from PubChem (CID 108537576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).