tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate

C24H34ClN3O4 — CID 69039552

IUPACtert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate
SMILESCCOC1=NCC(=O)N(C2CCC(C(NC(=O)OC(C)(C)C)c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C24H34ClN3O4/c1-5-31-20-15-28(21(29)14-26-20)19-11-9-16(10-12-19)22(17-7-6-8-18(25)13-17)27-23(30)32-24(2,3)4/h6-8,13,16,19,22H,5,9-12,14-15H2,1-4H3,(H,27,30)
InChIKeyBHUMLLOTWPWCAX-UHFFFAOYSA-N
MW464.01 g/mol
LogP4.74
Rot. Bonds5

About tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate

tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate (PubChem CID 69039552) has the molecular formula C24H34ClN3O4 and a molecular weight of 464.01 g/mol. Its IUPAC name is tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate
PubChem CID69039552
Molecular FormulaC24H34ClN3O4
Molecular Weight464.01 g/mol
Exact Mass463.22
IUPAC Nametert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate
SMILESCCOC1=NCC(=O)N(C2CCC(C(NC(=O)OC(C)(C)C)c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C24H34ClN3O4/c1-5-31-20-15-28(21(29)14-26-20)19-11-9-16(10-12-19)22(17-7-6-8-18(25)13-17)27-23(30)32-24(2,3)4/h6-8,13,16,19,22H,5,9-12,14-15H2,1-4H3,(H,27,30)
InChIKeyBHUMLLOTWPWCAX-UHFFFAOYSA-N
XLogP4.74
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3-chlorophenyl)-[4-(3-methyl-6-oxo-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclohexyl]methyl]carbamate
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tert-butyl N-[(3-chlorophenyl)-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]methyl]carbamate
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tert-butyl N-[1-[1-(3-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107250522
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate (CID 69039552) is tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate is CCOC1=NCC(=O)N(C2CCC(C(NC(=O)OC(C)(C)C)c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate?
The InChIKey is BHUMLLOTWPWCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O4/c1-5-31-20-15-28(21(29)14-26-20)19-11-9-16(10-12-19)22(17-7-6-8-18(25)13-17)27-23(30)32-24(2,3)4/h6-8,13,16,19,22H,5,9-12,14-15H2,1-4H3,(H,27,30).
What are the key properties of tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate?
tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate has a molecular weight of 464.01 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-chlorophenyl)-[4-(3-ethoxy-6-oxo-2,5-dihydropyrazin-1-yl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 69039552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).