2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide

C23H24ClNO3 — CID 90524457

IUPAC2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C23H24ClNO3/c1-23(2,28-18-12-10-17(24)11-13-18)22(27)25-15-14-21(26)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,21,26H,14-15H2,1-2H3,(H,25,27)
InChIKeyRGKQUXDKVQZCBY-UHFFFAOYSA-N
MW397.90 g/mol
LogP4.89
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide (PubChem CID 90524457) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
PubChem CID90524457
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Name2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C23H24ClNO3/c1-23(2,28-18-12-10-17(24)11-13-18)22(27)25-15-14-21(26)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,21,26H,14-15H2,1-2H3,(H,25,27)
InChIKeyRGKQUXDKVQZCBY-UHFFFAOYSA-N
XLogP4.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide (CID 90524457) is 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC(O)c1cccc2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide?
The InChIKey is RGKQUXDKVQZCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-23(2,28-18-12-10-17(24)11-13-18)22(27)25-15-14-21(26)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,21,26H,14-15H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide has a molecular weight of 397.90 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide is sourced from PubChem (CID 90524457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).