N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide

C22H20N2O4 — CID 4146389

IUPACN'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H20N2O4/c1-27-18-10-12-19(13-11-18)28-15-22(26)24-23-21(25)14-9-17-7-4-6-16-5-2-3-8-20(16)17/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyACSDUIBQHIQFRW-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.09
Rot. Bonds6

About N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide

N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide (PubChem CID 4146389) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
PubChem CID4146389
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H20N2O4/c1-27-18-10-12-19(13-11-18)28-15-22(26)24-23-21(25)14-9-17-7-4-6-16-5-2-3-8-20(16)17/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyACSDUIBQHIQFRW-UHFFFAOYSA-N
XLogP3.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
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

N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5195318
ethyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233974
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4503690
propyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233056
(E)-N'-[2-(2-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 6297721
(E)-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 6129417
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5089375
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
CID 4507139
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4922573
N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide
CID 4933147

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
The IUPAC name of N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide (CID 4146389) is N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide is COc1ccc(OCC(=O)NNC(=O)C=Cc2cccc3ccccc23)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
The InChIKey is ACSDUIBQHIQFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-18-10-12-19(13-11-18)28-15-22(26)24-23-21(25)14-9-17-7-4-6-16-5-2-3-8-20(16)17/h2-14H,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide?
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide has a molecular weight of 376.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide is sourced from PubChem (CID 4146389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).