N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide

C23H27N3O5 — CID 46656734

IUPACN'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C2CC(=O)N(c3ccc(CC)cc3)C2)cc1OC
InChIInChI=1S/C23H27N3O5/c1-4-15-6-9-18(10-7-15)26-14-17(13-21(26)27)23(29)25-24-22(28)16-8-11-19(31-5-2)20(12-16)30-3/h6-12,17H,4-5,13-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyUMJDHTLVAYAWOT-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.47
Rot. Bonds7

About N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide

N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 46656734) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID46656734
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C2CC(=O)N(c3ccc(CC)cc3)C2)cc1OC
InChIInChI=1S/C23H27N3O5/c1-4-15-6-9-18(10-7-15)26-14-17(13-21(26)27)23(29)25-24-22(28)16-8-11-19(31-5-2)20(12-16)30-3/h6-12,17H,4-5,13-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyUMJDHTLVAYAWOT-UHFFFAOYSA-N
XLogP2.47
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N'-(5-chloro-2-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9472189
(3R)-N'-(1,3-benzodioxole-5-carbonyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9399863
1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 55573433
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55543586
1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24553743
1-(1,3-benzodioxol-5-yl)-N'-(3,4-dimethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55581456
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
1-(4-chlorophenyl)-N'-(4-ethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55835061
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375
1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656694
N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide
CID 46656637
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220393

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 46656734) is N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)C2CC(=O)N(c3ccc(CC)cc3)C2)cc1OC.
What is the InChIKey of N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is UMJDHTLVAYAWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-4-15-6-9-18(10-7-15)26-14-17(13-21(26)27)23(29)25-24-22(28)16-8-11-19(31-5-2)20(12-16)30-3/h6-12,17H,4-5,13-14H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 425.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 46656734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).