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

C20H23NO3 — CID 739206

IUPAC4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C20H23NO3/c1-23-18-9-7-16(8-10-18)19(22)21-15-20(11-13-24-14-12-20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyZWAHFYJBRWITGF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.17
Rot. Bonds5

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

4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 739206) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID739206
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C20H23NO3/c1-23-18-9-7-16(8-10-18)19(22)21-15-20(11-13-24-14-12-20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyZWAHFYJBRWITGF-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 739206) is 4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is ZWAHFYJBRWITGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-18-9-7-16(8-10-18)19(22)21-15-20(11-13-24-14-12-20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,22).
What are the key properties of 4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide?
4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 739206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).