N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide

C24H23N3O4 — CID 2119955

IUPACN'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C24H23N3O4/c1-2-13-31-20-11-8-17(9-12-20)23(29)26-25-21-15-22(28)27(24(21)30)19-10-7-16-5-3-4-6-18(16)14-19/h3-12,14,21,25H,2,13,15H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyWFTLSTKENCADQV-NRFANRHFSA-N
MW417.47 g/mol
LogP3.20
Rot. Bonds7

About N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide

N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide (PubChem CID 2119955) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide
PubChem CID2119955
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C24H23N3O4/c1-2-13-31-20-11-8-17(9-12-20)23(29)26-25-21-15-22(28)27(24(21)30)19-10-7-16-5-3-4-6-18(16)14-19/h3-12,14,21,25H,2,13,15H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyWFTLSTKENCADQV-NRFANRHFSA-N
XLogP3.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.20
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)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide 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

5-bromo-N'-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]thiophene-2-carbohydrazide
CID 3709391
3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7641357
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[3-[2-(naphthalene-2-carbonyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21171413
N'-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 7643515
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 4973642
3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide
CID 4836158
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 4897530
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide?
The IUPAC name of N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide (CID 2119955) is N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide.
What is the SMILES notation for N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide?
The canonical SMILES for N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1.
What is the InChIKey of N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide?
The InChIKey is WFTLSTKENCADQV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-2-13-31-20-11-8-17(9-12-20)23(29)26-25-21-15-22(28)27(24(21)30)19-10-7-16-5-3-4-6-18(16)14-19/h3-12,14,21,25H,2,13,15H2,1H3,(H,26,29)/t21-/m0/s1.
What are the key properties of N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide?
N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide has a molecular weight of 417.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide is sourced from PubChem (CID 2119955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).