4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide

C21H23N3O5 — CID 7780107

IUPAC4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC
InChIInChI=1S/C21H23N3O5/c1-3-29-17-11-8-15(13-18(17)28-2)21(27)23-22-20(26)14-6-9-16(10-7-14)24-12-4-5-19(24)25/h6-11,13H,3-5,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNPILNBHIPMOTOF-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.30
Rot. Bonds6

About 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide

4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide (PubChem CID 7780107) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
PubChem CID7780107
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC
InChIInChI=1S/C21H23N3O5/c1-3-29-17-11-8-15(13-18(17)28-2)21(27)23-22-20(26)14-6-9-16(10-7-14)24-12-4-5-19(24)25/h6-11,13H,3-5,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNPILNBHIPMOTOF-UHFFFAOYSA-N
XLogP2.30
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.30
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

3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46486165
4-ethoxy-3-methoxy-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 9151613
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747644
N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656734
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 51172435
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8694839
3-ethoxy-4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17497049
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide?
The IUPAC name of 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide (CID 7780107) is 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide?
The InChIKey is NPILNBHIPMOTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-3-29-17-11-8-15(13-18(17)28-2)21(27)23-22-20(26)14-6-9-16(10-7-14)24-12-4-5-19(24)25/h6-11,13H,3-5,12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide?
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide has a molecular weight of 397.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 7780107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).