2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide

C20H23NO2 — CID 69093021

IUPAC2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide
SMILESCC(c1ccccc1)C1(c2ccccc2)CC(C(N)=O)CCO1
InChIInChI=1S/C20H23NO2/c1-15(16-8-4-2-5-9-16)20(18-10-6-3-7-11-18)14-17(19(21)22)12-13-23-20/h2-11,15,17H,12-14H2,1H3,(H2,21,22)
InChIKeyXFKGXSJUZNODLQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.60
Rot. Bonds4

About 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide

2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide (PubChem CID 69093021) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide
PubChem CID69093021
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide
SMILESCC(c1ccccc1)C1(c2ccccc2)CC(C(N)=O)CCO1
InChIInChI=1S/C20H23NO2/c1-15(16-8-4-2-5-9-16)20(18-10-6-3-7-11-18)14-17(19(21)22)12-13-23-20/h2-11,15,17H,12-14H2,1H3,(H2,21,22)
InChIKeyXFKGXSJUZNODLQ-UHFFFAOYSA-N
XLogP3.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-(4-fluoro-3,5-dimethylbenzyl)-6-(4-fluoro-3-methylbenzyloxy)-N-hydroxyhexanamide
CID 54584001
Benzyl 5-amino-5-oxo-3-phenylpentanoate
CID 563203
beta-(Aminomethyl)hydrocinnamic acid benzyl ester
CID 4192183
2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568779
(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide
CID 59568784
4-(4-fluorophenyl)-N-hydroxy-4-phenylmethoxybutanamide
CID 59568789
(2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568836
(2S)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide
CID 59568853
(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide
CID 59568871
(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide
CID 59568885
4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide
CID 59568889
(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide
CID 59568899

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide?
The IUPAC name of 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide (CID 69093021) is 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide.
What is the SMILES notation for 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide?
The canonical SMILES for 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide is CC(c1ccccc1)C1(c2ccccc2)CC(C(N)=O)CCO1.
What is the InChIKey of 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide?
The InChIKey is XFKGXSJUZNODLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15(16-8-4-2-5-9-16)20(18-10-6-3-7-11-18)14-17(19(21)22)12-13-23-20/h2-11,15,17H,12-14H2,1H3,(H2,21,22).
What are the key properties of 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide?
2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1-phenylethyl)oxane-4-carboxamide is sourced from PubChem (CID 69093021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).