N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide

C19H19N3O4 — CID 1120118

IUPACN'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide
SMILESCc1cccc(OCC(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C19H19N3O4/c1-13-6-5-9-15(10-13)26-12-17(23)21-20-16-11-18(24)22(19(16)25)14-7-3-2-4-8-14/h2-10,16,20H,11-12H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyFFBGFJLDLZRWQV-INIZCTEOSA-N
MW353.38 g/mol
LogP1.33
Rot. Bonds6

About N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide

N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide (PubChem CID 1120118) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide
PubChem CID1120118
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide
SMILESCc1cccc(OCC(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C19H19N3O4/c1-13-6-5-9-15(10-13)26-12-17(23)21-20-16-11-18(24)22(19(16)25)14-7-3-2-4-8-14/h2-10,16,20H,11-12H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyFFBGFJLDLZRWQV-INIZCTEOSA-N
XLogP1.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
CID 1120071
N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
CID 3940606
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]undec-10-enehydrazide
CID 7494358
N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzohydrazide
CID 4972953
2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7299451
3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide
CID 4836158
2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
CID 40649593
N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
CID 2962367
N'-[2-(4-methoxyphenoxy)acetyl]-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3795627
N'-[1-(3-chloro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetohydrazide
CID 3938497
N'-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025893
3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide
CID 2119946

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide?
The IUPAC name of N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide (CID 1120118) is N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide?
The canonical SMILES for N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide is Cc1cccc(OCC(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)c1.
What is the InChIKey of N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide?
The InChIKey is FFBGFJLDLZRWQV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-6-5-9-15(10-13)26-12-17(23)21-20-16-11-18(24)22(19(16)25)14-7-3-2-4-8-14/h2-10,16,20H,11-12H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide?
N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide has a molecular weight of 353.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide is sourced from PubChem (CID 1120118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).