N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

C20H23NO3 — CID 746156

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C20H23NO3/c1-23-18-9-7-17(8-10-18)20(11-13-24-14-12-20)15-21-19(22)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyMTJNHTPTIHUIDF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.17
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 746156) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID746156
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C20H23NO3/c1-23-18-9-7-17(8-10-18)20(11-13-24-14-12-20)15-21-19(22)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyMTJNHTPTIHUIDF-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 N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (CID 746156) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is MTJNHTPTIHUIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-18-9-7-17(8-10-18)20(11-13-24-14-12-20)15-21-19(22)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,21,22).
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
N-[[4-(4-methoxyphenyl)oxan-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 N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 746156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).