N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide

C19H19N3O5 — CID 39761126

IUPACN-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O5/c23-17(7-4-10-20-18(24)13-5-2-1-3-6-13)21-22-19(25)14-8-9-15-16(11-14)27-12-26-15/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyUHLHGERMUZZPTJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.39
Rot. Bonds6

About N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide

N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide (PubChem CID 39761126) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
PubChem CID39761126
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O5/c23-17(7-4-10-20-18(24)13-5-2-1-3-6-13)21-22-19(25)14-8-9-15-16(11-14)27-12-26-15/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyUHLHGERMUZZPTJ-UHFFFAOYSA-N
XLogP1.39
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 4789099
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
CID 39753224
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 4789720
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 46689775
N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 39714352
1-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-3-benzylurea
CID 24559575
N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9400552
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-pent-4-ynyl-1,3-benzodioxole-5-carboxamide
CID 103708735
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975
N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9400933

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide (CID 39761126) is N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide?
The InChIKey is UHLHGERMUZZPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-17(7-4-10-20-18(24)13-5-2-1-3-6-13)21-22-19(25)14-8-9-15-16(11-14)27-12-26-15/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide?
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide has a molecular weight of 369.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide is sourced from PubChem (CID 39761126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).