2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide

C27H23NO3 — CID 21190844

IUPAC2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1ccccc1OCc1ccc2ccccc2c1
InChIInChI=1S/C27H23NO3/c29-18-24(17-20-8-2-1-3-9-20)28-27(30)25-12-6-7-13-26(25)31-19-21-14-15-22-10-4-5-11-23(22)16-21/h1-16,18,24H,17,19H2,(H,28,30)
InChIKeyPWLXPCOJWHTVMB-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.96
Rot. Bonds8

About 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide

2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide (PubChem CID 21190844) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
PubChem CID21190844
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1ccccc1OCc1ccc2ccccc2c1
InChIInChI=1S/C27H23NO3/c29-18-24(17-20-8-2-1-3-9-20)28-27(30)25-12-6-7-13-26(25)31-19-21-14-15-22-10-4-5-11-23(22)16-21/h1-16,18,24H,17,19H2,(H,28,30)
InChIKeyPWLXPCOJWHTVMB-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide (CID 21190844) is 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide is O=CC(Cc1ccccc1)NC(=O)c1ccccc1OCc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The InChIKey is PWLXPCOJWHTVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c29-18-24(17-20-8-2-1-3-9-20)28-27(30)25-12-6-7-13-26(25)31-19-21-14-15-22-10-4-5-11-23(22)16-21/h1-16,18,24H,17,19H2,(H,28,30).
What are the key properties of 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethoxy)-N-(1-oxo-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 21190844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).