(3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide

C23H25N3O4 — CID 7102804

IUPAC(3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide
SMILESCCOc1ccc(N2C[C@H](C(=O)NN/C(C)=C/C(=O)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-3-30-20-11-9-19(10-12-20)26-15-18(14-22(26)28)23(29)25-24-16(2)13-21(27)17-7-5-4-6-8-17/h4-13,18,24H,3,14-15H2,1-2H3,(H,25,29)/b16-13+/t18-/m1/s1
InChIKeyVGMJWNZEGWCGEQ-IYICPGQYSA-N
MW407.47 g/mol
LogP2.85
Rot. Bonds8

About (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide

(3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide (PubChem CID 7102804) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide
PubChem CID7102804
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide
SMILESCCOc1ccc(N2C[C@H](C(=O)NN/C(C)=C/C(=O)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-3-30-20-11-9-19(10-12-20)26-15-18(14-22(26)28)23(29)25-24-16(2)13-21(27)17-7-5-4-6-8-17/h4-13,18,24H,3,14-15H2,1-2H3,(H,25,29)/b16-13+/t18-/m1/s1
InChIKeyVGMJWNZEGWCGEQ-IYICPGQYSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide 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

N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
1-(4-chlorophenyl)-N'-(4-ethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55835061
(3S)-1-(4-ethoxyphenyl)-N'-[2-(4-fluorophenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 7910780
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 47004545
(3S)-N'-[2-(2,6-dimethylphenoxy)acetyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 7910973
(3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 26856151
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
(3S)-1-(4-ethoxyphenyl)-N'-(3-nitrobenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 26534205
(3S)-1-(4-ethoxyphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1085389
(3S)-N-(2-carbamoylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7425511

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide (CID 7102804) is (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide is CCOc1ccc(N2C[C@H](C(=O)NN/C(C)=C/C(=O)c3ccccc3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide?
The InChIKey is VGMJWNZEGWCGEQ-IYICPGQYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-30-20-11-9-19(10-12-20)26-15-18(14-22(26)28)23(29)25-24-16(2)13-21(27)17-7-5-4-6-8-17/h4-13,18,24H,3,14-15H2,1-2H3,(H,25,29)/b16-13+/t18-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide?
(3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide has a molecular weight of 407.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)-5-oxo-N'-[(E)-4-oxo-4-phenylbut-2-en-2-yl]pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 7102804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).