4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide

C21H25NO2 — CID 2900568

IUPAC4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO2/c1-17(16-18-8-4-2-5-9-18)22-20(23)21(12-14-24-15-13-21)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,23)
InChIKeySPYHTFNRKURGIJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.48
Rot. Bonds5

About 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide

4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide (PubChem CID 2900568) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
PubChem CID2900568
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO2/c1-17(16-18-8-4-2-5-9-18)22-20(23)21(12-14-24-15-13-21)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,23)
InChIKeySPYHTFNRKURGIJ-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide (CID 2900568) is 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide is CC(Cc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide?
The InChIKey is SPYHTFNRKURGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-17(16-18-8-4-2-5-9-18)22-20(23)21(12-14-24-15-13-21)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,23).
What are the key properties of 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide?
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 2900568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).