benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate

C23H26N2O8 — CID 3763008

IUPACbenzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate
SMILESCCOC(=O)Oc1c(OC)cc(C(=O)N2CCCN2C(=O)OCc2ccccc2)cc1OC
InChIInChI=1S/C23H26N2O8/c1-4-31-23(28)33-20-18(29-2)13-17(14-19(20)30-3)21(26)24-11-8-12-25(24)22(27)32-15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3
InChIKeyUDXCPXOKLOIISI-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.64
Rot. Bonds7

About benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate

benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate (PubChem CID 3763008) has the molecular formula C23H26N2O8 and a molecular weight of 458.47 g/mol. Its IUPAC name is benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate
PubChem CID3763008
Molecular FormulaC23H26N2O8
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC Namebenzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate
SMILESCCOC(=O)Oc1c(OC)cc(C(=O)N2CCCN2C(=O)OCc2ccccc2)cc1OC
InChIInChI=1S/C23H26N2O8/c1-4-31-23(28)33-20-18(29-2)13-17(14-19(20)30-3)21(26)24-11-8-12-25(24)22(27)32-15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3
InChIKeyUDXCPXOKLOIISI-UHFFFAOYSA-N
XLogP3.64
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate 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

(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
benzyl 2-cyanopyrazolidine-1-carboxylate
CID 11564880
benzyl 4-(4-ethoxycarbonyloxybenzoyl)piperazine-1-carboxylate
CID 108567593
benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate
CID 3766365
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
ethyl [4-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108929525
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate
CID 5005887
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 120804131
ethyl 3-[[2-(3,4,5-trimethoxybenzoyl)pyrazolidine-1-carbothioyl]amino]propanoate
CID 3570098
1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119355480
benzyl (2S)-2-(phenylmethoxymethyl)-4-(3,4,5-trimethoxybenzoyl)-2,3-dihydropyrazine-1-carboxylate
CID 10007244

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate?
The IUPAC name of benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate (CID 3763008) is benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate is CCOC(=O)Oc1c(OC)cc(C(=O)N2CCCN2C(=O)OCc2ccccc2)cc1OC.
What is the InChIKey of benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate?
The InChIKey is UDXCPXOKLOIISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O8/c1-4-31-23(28)33-20-18(29-2)13-17(14-19(20)30-3)21(26)24-11-8-12-25(24)22(27)32-15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3.
What are the key properties of benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate?
benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate has a molecular weight of 458.47 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)pyrazolidine-1-carboxylate is sourced from PubChem (CID 3763008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).