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

C26H25NO3 — CID 2885836

IUPAC2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H25NO3/c28-24(20-9-3-1-4-10-20)22-13-7-8-14-23(22)25(29)27-19-26(15-17-30-18-16-26)21-11-5-2-6-12-21/h1-14H,15-19H2,(H,27,29)
InChIKeyHCZALCDEPCMHNE-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.40
Rot. Bonds6

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

2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 2885836) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID2885836
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H25NO3/c28-24(20-9-3-1-4-10-20)22-13-7-8-14-23(22)25(29)27-19-26(15-17-30-18-16-26)21-11-5-2-6-12-21/h1-14H,15-19H2,(H,27,29)
InChIKeyHCZALCDEPCMHNE-UHFFFAOYSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 2885836) is 2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is HCZALCDEPCMHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c28-24(20-9-3-1-4-10-20)22-13-7-8-14-23(22)25(29)27-19-26(15-17-30-18-16-26)21-11-5-2-6-12-21/h1-14H,15-19H2,(H,27,29).
What are the key properties of 2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 2885836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).