2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide

C19H21N3O5 — CID 3422545

IUPAC2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(C(=O)NNC(=O)C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H21N3O5/c1-12(13-7-5-4-6-8-13)20-18(24)19(25)22-21-17(23)14-9-10-15(26-2)16(11-14)27-3/h4-12H,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyQUXASLMZBYTPBZ-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.34
Rot. Bonds5

About 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide

2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide (PubChem CID 3422545) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide
PubChem CID3422545
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(C(=O)NNC(=O)C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H21N3O5/c1-12(13-7-5-4-6-8-13)20-18(24)19(25)22-21-17(23)14-9-10-15(26-2)16(11-14)27-3/h4-12H,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyQUXASLMZBYTPBZ-UHFFFAOYSA-N
XLogP1.34
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Troxipide
CID 5597
Itopride
CID 3792
Itopride Hydrochloride
CID 129791
3,4-Dimethoxy-N-(phenylmethyl)benzeneacetamide
CID 2253267
N-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 9116001
N-[2-(4-hydroxyphenyl)ethyl]-3,4-dipentoxybenzamide
CID 19363251
3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330
N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 2083285
Benzamide, 3,4-dimethoxy-N-dodecyl-
CID 4193156
Tricetamide
CID 67763
N-(2-(3,4-dimethoxyphenyl)ethyl)benzamide
CID 272506
N-cyclohexyl-3,4-dimethoxybenzamide
CID 736959

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide (CID 3422545) is 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide is COc1ccc(C(=O)NNC(=O)C(=O)NC(C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide?
The InChIKey is QUXASLMZBYTPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12(13-7-5-4-6-8-13)20-18(24)19(25)22-21-17(23)14-9-10-15(26-2)16(11-14)27-3/h4-12H,1-3H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide?
2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxo-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3422545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).