1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide

C20H18N2O5 — CID 1213598

IUPAC1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
SMILESCOc1cccc(OCC(=O)NNC(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C20H18N2O5/c1-26-14-6-4-7-15(11-14)27-12-18(23)21-22-20(25)17-10-9-13-5-2-3-8-16(13)19(17)24/h2-11,24H,12H2,1H3,(H,21,23)(H,22,25)
InChIKeyIWJZIIVCFUWMLN-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.39
Rot. Bonds5

About 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide

1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide (PubChem CID 1213598) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
PubChem CID1213598
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
SMILESCOc1cccc(OCC(=O)NNC(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C20H18N2O5/c1-26-14-6-4-7-15(11-14)27-12-18(23)21-22-20(25)17-10-9-13-5-2-3-8-16(13)19(17)24/h2-11,24H,12H2,1H3,(H,21,23)(H,22,25)
InChIKeyIWJZIIVCFUWMLN-UHFFFAOYSA-N
XLogP2.39
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 774191
CID 774191
CID 1103475
CID 1103475
CID 774189
CID 774189
CID 806093
CID 806093
CID 1000056
CID 1000056
CID 1213602
CID 1213602
CID 1931034
CID 1931034
CID 774188
CID 774188
CID 789909
CID 789909
CID 42942639
CID 42942639
CID 162657225
CID 162657225
CID 1047412
CID 1047412

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide?
The IUPAC name of 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide (CID 1213598) is 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide.
What is the SMILES notation for 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide?
The canonical SMILES for 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide is COc1cccc(OCC(=O)NNC(=O)c2ccc3ccccc3c2O)c1.
What is the InChIKey of 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide?
The InChIKey is IWJZIIVCFUWMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-26-14-6-4-7-15(11-14)27-12-18(23)21-22-20(25)17-10-9-13-5-2-3-8-16(13)19(17)24/h2-11,24H,12H2,1H3,(H,21,23)(H,22,25).
What are the key properties of 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide?
1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide has a molecular weight of 366.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N'-[2-(3-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide is sourced from PubChem (CID 1213598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).