1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide

C23H27N3O7 — CID 55573433

IUPAC1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C23H27N3O7/c1-4-32-18-7-5-6-8-19(18)33-14-21(27)24-25-23(29)15-11-22(28)26(13-15)16-9-10-17(30-2)20(12-16)31-3/h5-10,12,15H,4,11,13-14H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyYZIMZPCZFHXDNZ-UHFFFAOYSA-N
MW457.48 g/mol
LogP1.68
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide

1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 55573433) has the molecular formula C23H27N3O7 and a molecular weight of 457.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
PubChem CID55573433
Molecular FormulaC23H27N3O7
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C23H27N3O7/c1-4-32-18-7-5-6-8-19(18)33-14-21(27)24-25-23(29)15-11-22(28)26(13-15)16-9-10-17(30-2)20(12-16)31-3/h5-10,12,15H,4,11,13-14H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyYZIMZPCZFHXDNZ-UHFFFAOYSA-N
XLogP1.68
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51933925
N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656734
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(2-methylphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 41135075
(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9471840
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
(3S)-1-(4-ethoxyphenyl)-N'-[2-(4-fluorophenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 7910780
(3S)-N'-[2-(2,6-dimethylphenoxy)acetyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 7910973
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 7255738
1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017
1-(3,4-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614916

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide (CID 55573433) is 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is YZIMZPCZFHXDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7/c1-4-32-18-7-5-6-8-19(18)33-14-21(27)24-25-23(29)15-11-22(28)26(13-15)16-9-10-17(30-2)20(12-16)31-3/h5-10,12,15H,4,11,13-14H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide?
1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 457.48 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 55573433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).