N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide

C21H23N3O4 — CID 7479792

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H23N3O4/c1-14-5-3-6-15(2)20(14)28-13-18(25)22-23-21(27)16-8-10-17(11-9-16)24-12-4-7-19(24)26/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyKBFRZVCOMQTILE-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.27
Rot. Bonds5

About N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide (PubChem CID 7479792) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
PubChem CID7479792
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H23N3O4/c1-14-5-3-6-15(2)20(14)28-13-18(25)22-23-21(27)16-8-10-17(11-9-16)24-12-4-7-19(24)26/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyKBFRZVCOMQTILE-UHFFFAOYSA-N
XLogP2.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9470070
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8883095
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8953376
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
[2-(2-methylanilino)-2-oxoethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8653826
N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17132432
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4503208
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide (CID 7479792) is N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
The InChIKey is KBFRZVCOMQTILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-5-3-6-15(2)20(14)28-13-18(25)22-23-21(27)16-8-10-17(11-9-16)24-12-4-7-19(24)26/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide has a molecular weight of 381.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide is sourced from PubChem (CID 7479792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).