2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide

C25H28N2O6 — CID 55871767

IUPAC2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C25H28N2O6/c1-16(33-20-12-9-17-7-5-6-8-19(17)15-20)25(29)27-26-22(28)14-11-18-10-13-21(30-2)24(32-4)23(18)31-3/h5-10,12-13,15-16H,11,14H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyKYOYHAHZWDSWCE-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.41
Rot. Bonds9

About 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide

2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide (PubChem CID 55871767) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide
PubChem CID55871767
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C25H28N2O6/c1-16(33-20-12-9-17-7-5-6-8-19(17)15-20)25(29)27-26-22(28)14-11-18-10-13-21(30-2)24(32-4)23(18)31-3/h5-10,12-13,15-16H,11,14H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyKYOYHAHZWDSWCE-UHFFFAOYSA-N
XLogP3.41
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(2-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55342358
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
methyl 4-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-4-oxobutanoate
CID 8757583
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid
CID 8757642
3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41410730
2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 24638285
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea
CID 26871400
(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 94049685

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide?
The IUPAC name of 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide (CID 55871767) is 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide?
The canonical SMILES for 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide is COc1ccc(CCC(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)c(OC)c1OC.
What is the InChIKey of 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide?
The InChIKey is KYOYHAHZWDSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-16(33-20-12-9-17-7-5-6-8-19(17)15-20)25(29)27-26-22(28)14-11-18-10-13-21(30-2)24(32-4)23(18)31-3/h5-10,12-13,15-16H,11,14H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide?
2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide has a molecular weight of 452.51 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]propanehydrazide is sourced from PubChem (CID 55871767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).