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

C26H27NO3 — CID 100681565

IUPAC4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CCOCC2)cc1
InChIInChI=1S/C26H27NO3/c1-20-7-9-22(10-8-20)26(15-17-29-18-16-26)25(28)27-23-11-13-24(14-12-23)30-19-21-5-3-2-4-6-21/h2-14H,15-19H2,1H3,(H,27,28)
InChIKeyJQRHDAXLROJOQH-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.26
Rot. Bonds6

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

4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide (PubChem CID 100681565) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
PubChem CID100681565
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CCOCC2)cc1
InChIInChI=1S/C26H27NO3/c1-20-7-9-22(10-8-20)26(15-17-29-18-16-26)25(28)27-23-11-13-24(14-12-23)30-19-21-5-3-2-4-6-21/h2-14H,15-19H2,1H3,(H,27,28)
InChIKeyJQRHDAXLROJOQH-UHFFFAOYSA-N
XLogP5.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-methylpyrimidin-5-yl)phenyl]-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 67987918
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100682380
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 55787731
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
2-methyl-3-[4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]phenyl]propanoic acid
CID 120541500
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 100681752
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylmethoxyphenyl)oxane-4-carboxamide
CID 57406405
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide (CID 100681565) is 4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide is Cc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide?
The InChIKey is JQRHDAXLROJOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-20-7-9-22(10-8-20)26(15-17-29-18-16-26)25(28)27-23-11-13-24(14-12-23)30-19-21-5-3-2-4-6-21/h2-14H,15-19H2,1H3,(H,27,28).
What are the key properties of 4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide?
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100681565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).