2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide

C21H18N2O3 — CID 4922573

IUPAC2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C21H18N2O3/c1-26-19-12-5-4-11-18(19)21(25)23-22-20(24)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyOASUEMYYAKEAJZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.32
Rot. Bonds4

About 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide

2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide (PubChem CID 4922573) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
PubChem CID4922573
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C21H18N2O3/c1-26-19-12-5-4-11-18(19)21(25)23-22-20(24)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyOASUEMYYAKEAJZ-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6234474
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
[2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126043197
(E)-N'-[2-(2-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 6297721
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4503690
5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069
N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 4925072
3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5089375

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide?
The IUPAC name of 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide (CID 4922573) is 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide?
The canonical SMILES for 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide is COc1ccccc1C(=O)NNC(=O)C=Cc1cccc2ccccc12.
What is the InChIKey of 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide?
The InChIKey is OASUEMYYAKEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-19-12-5-4-11-18(19)21(25)23-22-20(24)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide?
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide has a molecular weight of 346.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide is sourced from PubChem (CID 4922573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).