N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide

C18H17N3O5 — CID 4789720

IUPACN-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17N3O5/c22-16(8-12-4-2-1-3-5-12)19-10-17(23)20-21-18(24)13-6-7-14-15(9-13)26-11-25-14/h1-7,9H,8,10-11H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyQUULGHRINCFCLA-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.54
Rot. Bonds5

About N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide

N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 4789720) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
PubChem CID4789720
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17N3O5/c22-16(8-12-4-2-1-3-5-12)19-10-17(23)20-21-18(24)13-6-7-14-15(9-13)26-11-25-14/h1-7,9H,8,10-11H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyQUULGHRINCFCLA-UHFFFAOYSA-N
XLogP0.54
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-3-benzylurea
CID 24559575
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39761126
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 46689775
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
N'-[3-(5-phenylfuran-2-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9400552
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-[2-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55376302
N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 31727289
N-[(2S)-1-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55935949
N-[2-oxo-2-[(2Z)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6281402
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide (CID 4789720) is N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is QUULGHRINCFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c22-16(8-12-4-2-1-3-5-12)19-10-17(23)20-21-18(24)13-6-7-14-15(9-13)26-11-25-14/h1-7,9H,8,10-11H2,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 355.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 4789720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).