N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide

C20H21N3O4 — CID 9470070

IUPACN'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-14-5-2-3-6-17(14)27-13-18(24)21-22-20(26)15-8-10-16(11-9-15)23-12-4-7-19(23)25/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyNGMRISBQXANLPB-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.96
Rot. Bonds5

About N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide

N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide (PubChem CID 9470070) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
PubChem CID9470070
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-14-5-2-3-6-17(14)27-13-18(24)21-22-20(26)15-8-10-16(11-9-15)23-12-4-7-19(23)25/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyNGMRISBQXANLPB-UHFFFAOYSA-N
XLogP1.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.96
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-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 7479792
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
[2-(2-methylanilino)-2-oxoethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8653826
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
2-(2-bromophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8603256
2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethoxy]-N-phenylbenzamide
CID 17419102
4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
CID 790502
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33372865
2-(4-chloro-2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716544
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30707777

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide (CID 9470070) is N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
The InChIKey is NGMRISBQXANLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14-5-2-3-6-17(14)27-13-18(24)21-22-20(26)15-8-10-16(11-9-15)23-12-4-7-19(23)25/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide has a molecular weight of 367.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide is sourced from PubChem (CID 9470070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).