3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide

C15H21N3O4 — CID 4161575

IUPAC3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide
SMILESCCNC(=O)C=C(C)NNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H21N3O4/c1-5-16-14(19)8-10(2)17-18-15(20)12-7-6-11(21-3)9-13(12)22-4/h6-9,17H,5H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyKKYATUKGOZMCQM-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.98
Rot. Bonds7

About 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide

3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide (PubChem CID 4161575) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide
PubChem CID4161575
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide
SMILESCCNC(=O)C=C(C)NNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H21N3O4/c1-5-16-14(19)8-10(2)17-18-15(20)12-7-6-11(21-3)9-13(12)22-4/h6-9,17H,5H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyKKYATUKGOZMCQM-UHFFFAOYSA-N
XLogP0.98
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79814147
2-[(2,4-dimethoxybenzoyl)amino]-2-methylpentanoic acid
CID 43618581
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide?
The IUPAC name of 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide (CID 4161575) is 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide.
What is the SMILES notation for 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide?
The canonical SMILES for 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide is CCNC(=O)C=C(C)NNC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide?
The InChIKey is KKYATUKGOZMCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-5-16-14(19)8-10(2)17-18-15(20)12-7-6-11(21-3)9-13(12)22-4/h6-9,17H,5H2,1-4H3,(H,16,19)(H,18,20).
What are the key properties of 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide?
3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide has a molecular weight of 307.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-ethylbut-2-enamide is sourced from PubChem (CID 4161575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).