3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide

C20H21N3O5 — CID 34253914

IUPAC3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc(N3CCCC3=O)c2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-27-16-9-8-14(12-17(16)28-2)20(26)22-21-19(25)13-5-3-6-15(11-13)23-10-4-7-18(23)24/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyFZWRROVTMHZTBW-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.91
Rot. Bonds5

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

3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide (PubChem CID 34253914) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
PubChem CID34253914
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc(N3CCCC3=O)c2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-27-16-9-8-14(12-17(16)28-2)20(26)22-21-19(25)13-5-3-6-15(11-13)23-10-4-7-18(23)24/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyFZWRROVTMHZTBW-UHFFFAOYSA-N
XLogP1.91
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.91
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-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 95967526
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55394131
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9425412
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9370024
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 46656819
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide (CID 34253914) is 3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)c2cccc(N3CCCC3=O)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide?
The InChIKey is FZWRROVTMHZTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-16-9-8-14(12-17(16)28-2)20(26)22-21-19(25)13-5-3-6-15(11-13)23-10-4-7-18(23)24/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide?
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide has a molecular weight of 383.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 34253914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).