4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide

C21H25NO2 — CID 27455998

IUPAC4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(c3ccccc3)CCOCC2)c(C)c1
InChIInChI=1S/C21H25NO2/c1-15-13-16(2)19(17(3)14-15)22-20(23)21(9-11-24-12-10-21)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3,(H,22,23)
InChIKeySWHKKJYQOTYTSY-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.30
Rot. Bonds3

About 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide

4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide (PubChem CID 27455998) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
PubChem CID27455998
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(c3ccccc3)CCOCC2)c(C)c1
InChIInChI=1S/C21H25NO2/c1-15-13-16(2)19(17(3)14-15)22-20(23)21(9-11-24-12-10-21)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3,(H,22,23)
InChIKeySWHKKJYQOTYTSY-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122356805
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide
CID 27456004
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 55787731
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 51092485
N-(2-chloro-4-nitrophenyl)-4-phenyloxane-4-carboxamide
CID 2952053

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide (CID 27455998) is 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide is Cc1cc(C)c(NC(=O)C2(c3ccccc3)CCOCC2)c(C)c1.
What is the InChIKey of 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide?
The InChIKey is SWHKKJYQOTYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15-13-16(2)19(17(3)14-15)22-20(23)21(9-11-24-12-10-21)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3,(H,22,23).
What are the key properties of 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide?
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 27455998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).