(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide

C22H22N2O4 — CID 7927347

IUPAC(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15(28-20-12-9-17-5-3-4-6-18(17)14-20)22(26)24-23-21(25)13-16-7-10-19(27-2)11-8-16/h3-12,14-15H,13H2,1-2H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyHTWBBDZTEHFVGI-OAHLLOKOSA-N
MW378.43 g/mol
LogP3.01
Rot. Bonds6

About (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide

(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide (PubChem CID 7927347) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
PubChem CID7927347
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15(28-20-12-9-17-5-3-4-6-18(17)14-20)22(26)24-23-21(25)13-16-7-10-19(27-2)11-8-16/h3-12,14-15H,13H2,1-2H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyHTWBBDZTEHFVGI-OAHLLOKOSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The IUPAC name of (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide (CID 7927347) is (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The canonical SMILES for (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide is COc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The InChIKey is HTWBBDZTEHFVGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15(28-20-12-9-17-5-3-4-6-18(17)14-20)22(26)24-23-21(25)13-16-7-10-19(27-2)11-8-16/h3-12,14-15H,13H2,1-2H3,(H,23,25)(H,24,26)/t15-/m1/s1.
What are the key properties of (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide has a molecular weight of 378.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide is sourced from PubChem (CID 7927347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).