N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide

C23H21NO3 — CID 21190806

IUPACN-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C23H21NO3/c25-16-20(15-18-9-3-1-4-10-18)24-23(26)22-14-8-7-11-19(22)17-27-21-12-5-2-6-13-21/h1-14,16,20H,15,17H2,(H,24,26)
InChIKeyKXSLBQUEDYJUCD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.81
Rot. Bonds8

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

N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide (PubChem CID 21190806) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide
PubChem CID21190806
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC NameN-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C23H21NO3/c25-16-20(15-18-9-3-1-4-10-18)24-23(26)22-14-8-7-11-19(22)17-27-21-12-5-2-6-13-21/h1-14,16,20H,15,17H2,(H,24,26)
InChIKeyKXSLBQUEDYJUCD-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.81
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 N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide?
The IUPAC name of N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide (CID 21190806) is N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide is O=CC(Cc1ccccc1)NC(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide?
The InChIKey is KXSLBQUEDYJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-16-20(15-18-9-3-1-4-10-18)24-23(26)22-14-8-7-11-19(22)17-27-21-12-5-2-6-13-21/h1-14,16,20H,15,17H2,(H,24,26).
What are the key properties of N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide?
N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-phenylpropan-2-yl)-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 21190806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).