3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide

C19H23N3O3 — CID 170922745

IUPAC3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide
SMILESCC(=CC(=O)NC(C)C)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O3/c1-13(2)20-18(23)10-14(3)21-22-19(24)12-25-17-9-8-15-6-4-5-7-16(15)11-17/h4-11,13,21H,12H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyONKAZRUHOXGAMD-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.27
Rot. Bonds7

About 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide

3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide (PubChem CID 170922745) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide
PubChem CID170922745
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide
SMILESCC(=CC(=O)NC(C)C)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O3/c1-13(2)20-18(23)10-14(3)21-22-19(24)12-25-17-9-8-15-6-4-5-7-16(15)11-17/h4-11,13,21H,12H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyONKAZRUHOXGAMD-UHFFFAOYSA-N
XLogP2.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[(2-naphthalen-2-yloxyacetyl)amino]-N-propan-2-ylacetamide
CID 17479065
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea
CID 167987690
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821296
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
N'-(2-naphthalen-2-yloxyacetyl)octanehydrazide
CID 4958774
2-naphthalen-2-yloxy-N-[2-[(2-naphthalen-2-yloxyacetyl)amino]propyl]acetamide
CID 3635526
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
CID 4952087
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
N-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-2-yloxyacetamide
CID 8919238

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide?
The IUPAC name of 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide (CID 170922745) is 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide?
The canonical SMILES for 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide is CC(=CC(=O)NC(C)C)NNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide?
The InChIKey is ONKAZRUHOXGAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)20-18(23)10-14(3)21-22-19(24)12-25-17-9-8-15-6-4-5-7-16(15)11-17/h4-11,13,21H,12H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide?
3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 170922745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).