2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide

C20H23NO2 — CID 895445

IUPAC2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCc1ccccc1C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO2/c1-16-7-5-6-10-18(16)19(22)21-15-20(11-13-23-14-12-20)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyUYKNSGCYHCDOAF-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.47
Rot. Bonds4

About 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide

2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 895445) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID895445
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCc1ccccc1C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO2/c1-16-7-5-6-10-18(16)19(22)21-15-20(11-13-23-14-12-20)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyUYKNSGCYHCDOAF-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 895445) is 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide is Cc1ccccc1C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is UYKNSGCYHCDOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16-7-5-6-10-18(16)19(22)21-15-20(11-13-23-14-12-20)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,21,22).
What are the key properties of 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 895445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).