4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide

C20H23NO3 — CID 972348

IUPAC4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)cc3)CCOCC2)cc1
InChIInChI=1S/C20H23NO3/c1-15-3-7-17(8-4-15)21-19(22)20(11-13-24-14-12-20)16-5-9-18(23-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,21,22)
InChIKeyLSOOKFCBBFHWCE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.69
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide

4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide (PubChem CID 972348) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide
PubChem CID972348
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)cc3)CCOCC2)cc1
InChIInChI=1S/C20H23NO3/c1-15-3-7-17(8-4-15)21-19(22)20(11-13-24-14-12-20)16-5-9-18(23-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,21,22)
InChIKeyLSOOKFCBBFHWCE-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide (CID 972348) is 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(C)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide?
The InChIKey is LSOOKFCBBFHWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-3-7-17(8-4-15)21-19(22)20(11-13-24-14-12-20)16-5-9-18(23-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 972348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).