4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

C16H21N3O4 — CID 2492862

IUPAC4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCCc1ccc(C(=O)NN[C@@H]2CC(=O)N(CCOC)C2=O)cc1
InChIInChI=1S/C16H21N3O4/c1-3-11-4-6-12(7-5-11)15(21)18-17-13-10-14(20)19(16(13)22)8-9-23-2/h4-7,13,17H,3,8-10H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyZHVJLBPSJLJQBW-CYBMUJFWSA-N
MW319.36 g/mol
LogP0.26
Rot. Bonds7

About 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (PubChem CID 2492862) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
PubChem CID2492862
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCCc1ccc(C(=O)NN[C@@H]2CC(=O)N(CCOC)C2=O)cc1
InChIInChI=1S/C16H21N3O4/c1-3-11-4-6-12(7-5-11)15(21)18-17-13-10-14(20)19(16(13)22)8-9-23-2/h4-7,13,17H,3,8-10H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyZHVJLBPSJLJQBW-CYBMUJFWSA-N
XLogP0.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.26
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'}

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Related Compounds

N'-[(3S)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2446641
3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide
CID 4833062
N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
CID 3766254
N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
CID 2492890
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide
CID 71181447
N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2492854
(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7186089
N'-[(3S)-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]-1,3-benzodioxole-5-carbohydrazide
CID 2492867
(3S)-1-(2-methoxyethyl)-2,5-dioxopyrrolidine-3-carboxamide
CID 67498291
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 98289728
(3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2242316

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (CID 2492862) is 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is CCc1ccc(C(=O)NN[C@@H]2CC(=O)N(CCOC)C2=O)cc1.
What is the InChIKey of 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The InChIKey is ZHVJLBPSJLJQBW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-3-11-4-6-12(7-5-11)15(21)18-17-13-10-14(20)19(16(13)22)8-9-23-2/h4-7,13,17H,3,8-10H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide has a molecular weight of 319.36 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 2492862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).