oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate

C34H37N5O5 — CID 91393259

IUPACoxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
SMILESCc1c(-c2cn(C)c(=O)c(Nc3cccc(NC(=O)OC4CCOC4)c3)n2)cccc1N(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C34H37N5O5/c1-22(2)19-39(32(40)24-10-6-5-7-11-24)30-15-9-14-28(23(30)3)29-20-38(4)33(41)31(37-29)35-25-12-8-13-26(18-25)36-34(42)44-27-16-17-43-21-27/h5-15,18,20,22,27H,16-17,19,21H2,1-4H3,(H,35,37)(H,36,42)
InChIKeyDZGPBRFZCHECEL-UHFFFAOYSA-N
MW595.70 g/mol
LogP6.14
Rot. Bonds9

About oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate

oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate (PubChem CID 91393259) has the molecular formula C34H37N5O5 and a molecular weight of 595.70 g/mol. Its IUPAC name is oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
PubChem CID91393259
Molecular FormulaC34H37N5O5
Molecular Weight595.70 g/mol
Exact Mass595.28
IUPAC Nameoxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
SMILESCc1c(-c2cn(C)c(=O)c(Nc3cccc(NC(=O)OC4CCOC4)c3)n2)cccc1N(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C34H37N5O5/c1-22(2)19-39(32(40)24-10-6-5-7-11-24)30-15-9-14-28(23(30)3)29-20-38(4)33(41)31(37-29)35-25-12-8-13-26(18-25)36-34(42)44-27-16-17-43-21-27/h5-15,18,20,22,27H,16-17,19,21H2,1-4H3,(H,35,37)(H,36,42)
InChIKeyDZGPBRFZCHECEL-UHFFFAOYSA-N
XLogP6.14
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.70
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate?
The IUPAC name of oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate (CID 91393259) is oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate?
The canonical SMILES for oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate is Cc1c(-c2cn(C)c(=O)c(Nc3cccc(NC(=O)OC4CCOC4)c3)n2)cccc1N(CC(C)C)C(=O)c1ccccc1.
What is the InChIKey of oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate?
The InChIKey is DZGPBRFZCHECEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O5/c1-22(2)19-39(32(40)24-10-6-5-7-11-24)30-15-9-14-28(23(30)3)29-20-38(4)33(41)31(37-29)35-25-12-8-13-26(18-25)36-34(42)44-27-16-17-43-21-27/h5-15,18,20,22,27H,16-17,19,21H2,1-4H3,(H,35,37)(H,36,42).
What are the key properties of oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate?
oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate has a molecular weight of 595.70 g/mol, XLogP of 6.14, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 91393259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).