N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide

C18H25N3O4 — CID 3839764

IUPACN'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide
SMILESCCCCCC(=O)NNC1CC(=O)N(c2cccc(OCC)c2)C1=O
InChIInChI=1S/C18H25N3O4/c1-3-5-6-10-16(22)20-19-15-12-17(23)21(18(15)24)13-8-7-9-14(11-13)25-4-2/h7-9,11,15,19H,3-6,10,12H2,1-2H3,(H,20,22)
InChIKeyMPNYORBZWMOPLD-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.92
Rot. Bonds9

About N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide

N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide (PubChem CID 3839764) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide.

Molecular Properties

Compound NameN'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide
PubChem CID3839764
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide
SMILESCCCCCC(=O)NNC1CC(=O)N(c2cccc(OCC)c2)C1=O
InChIInChI=1S/C18H25N3O4/c1-3-5-6-10-16(22)20-19-15-12-17(23)21(18(15)24)13-8-7-9-14(11-13)25-4-2/h7-9,11,15,19H,3-6,10,12H2,1-2H3,(H,20,22)
InChIKeyMPNYORBZWMOPLD-UHFFFAOYSA-N
XLogP1.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025893
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
CID 1120071
N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide
CID 1120118
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025869
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]undec-10-enehydrazide
CID 7494358
N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
CID 3940606
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
(3S)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1365605
(3R)-3-(2-ethoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860106
N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide
CID 2119955
N-(4-chlorophenyl)-2-[(3S)-1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1109118

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide?
The IUPAC name of N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide (CID 3839764) is N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide.
What is the SMILES notation for N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide?
The canonical SMILES for N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide is CCCCCC(=O)NNC1CC(=O)N(c2cccc(OCC)c2)C1=O.
What is the InChIKey of N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide?
The InChIKey is MPNYORBZWMOPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-3-5-6-10-16(22)20-19-15-12-17(23)21(18(15)24)13-8-7-9-14(11-13)25-4-2/h7-9,11,15,19H,3-6,10,12H2,1-2H3,(H,20,22).
What are the key properties of N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide?
N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide has a molecular weight of 347.42 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide is sourced from PubChem (CID 3839764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).