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

C19H21NO2 — CID 808618

IUPACN-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H21NO2/c21-18(16-7-3-1-4-8-16)20-15-19(11-13-22-14-12-19)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,21)
InChIKeyPLDHIYODLWEJMI-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.16
Rot. Bonds4

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

N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 808618) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID808618
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H21NO2/c21-18(16-7-3-1-4-8-16)20-15-19(11-13-22-14-12-19)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,21)
InChIKeyPLDHIYODLWEJMI-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 808618) is N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is PLDHIYODLWEJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(16-7-3-1-4-8-16)20-15-19(11-13-22-14-12-19)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,21).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]benzamide?
N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 295.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 808618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).