N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide

C24H31NO4 — CID 2958588

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(OCC(C)C)cc3)CCOCC2)cc1
InChIInChI=1S/C24H31NO4/c1-18(2)16-29-22-8-4-19(5-9-22)23(26)25-17-24(12-14-28-15-13-24)20-6-10-21(27-3)11-7-20/h4-11,18H,12-17H2,1-3H3,(H,25,26)
InChIKeyOGQGSWIUMJXUFS-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.21
Rot. Bonds8

About N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide (PubChem CID 2958588) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide
PubChem CID2958588
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(OCC(C)C)cc3)CCOCC2)cc1
InChIInChI=1S/C24H31NO4/c1-18(2)16-29-22-8-4-19(5-9-22)23(26)25-17-24(12-14-28-15-13-24)20-6-10-21(27-3)11-7-20/h4-11,18H,12-17H2,1-3H3,(H,25,26)
InChIKeyOGQGSWIUMJXUFS-UHFFFAOYSA-N
XLogP4.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide (CID 2958588) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide is COc1ccc(C2(CNC(=O)c3ccc(OCC(C)C)cc3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is OGQGSWIUMJXUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-18(2)16-29-22-8-4-19(5-9-22)23(26)25-17-24(12-14-28-15-13-24)20-6-10-21(27-3)11-7-20/h4-11,18H,12-17H2,1-3H3,(H,25,26).
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide?
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 397.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 2958588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).