(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide

C22H22N2O5 — CID 8757594

IUPAC(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O5/c1-15(29-20-8-7-16-5-3-4-6-17(16)13-20)22(26)24-23-21(25)14-28-19-11-9-18(27-2)10-12-19/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeyRQKTXLUBGOZIPL-HNNXBMFYSA-N
MW394.43 g/mol
LogP2.84
Rot. Bonds7

About (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide

(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide (PubChem CID 8757594) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
PubChem CID8757594
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O5/c1-15(29-20-8-7-16-5-3-4-6-17(16)13-20)22(26)24-23-21(25)14-28-19-11-9-18(27-2)10-12-19/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeyRQKTXLUBGOZIPL-HNNXBMFYSA-N
XLogP2.84
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
(2R)-N'-[2-(2-fluorophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927377
methyl 4-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-4-oxobutanoate
CID 8757583
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927374
(2R)-N'-[2-(2-cyanophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8008591
N'-[3-(2-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55342358
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940220
3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41410730

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The IUPAC name of (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide (CID 8757594) is (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The canonical SMILES for (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide is COc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The InChIKey is RQKTXLUBGOZIPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-15(29-20-8-7-16-5-3-4-6-17(16)13-20)22(26)24-23-21(25)14-28-19-11-9-18(27-2)10-12-19/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1.
What are the key properties of (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide has a molecular weight of 394.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide is sourced from PubChem (CID 8757594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).