4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide

C25H26N2O3 — CID 4927927

IUPAC4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C25H26N2O3/c1-18(2)16-17-30-22-13-10-21(11-14-22)25(29)27-26-24(28)15-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJYSWAKLZYOLVSL-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.74
Rot. Bonds7

About 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide

4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide (PubChem CID 4927927) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
PubChem CID4927927
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C25H26N2O3/c1-18(2)16-17-30-22-13-10-21(11-14-22)25(29)27-26-24(28)15-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJYSWAKLZYOLVSL-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.74
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-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide
CID 4933147
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 4949998
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide
CID 17195627
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
propyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233056
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
ethyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233974
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide?
The IUPAC name of 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide (CID 4927927) is 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide.
What is the SMILES notation for 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide?
The canonical SMILES for 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)C=Cc2cccc3ccccc23)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide?
The InChIKey is JYSWAKLZYOLVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18(2)16-17-30-22-13-10-21(11-14-22)25(29)27-26-24(28)15-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide?
4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide has a molecular weight of 402.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide is sourced from PubChem (CID 4927927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).