(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide

C21H25NO2 — CID 99932597

IUPAC(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-22-20(23)19-14-8-9-15-24-19/h2-7,10-13,19H,8-9,14-16H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyRZEATZNZNWEYPS-IBGZPJMESA-N
MW323.44 g/mol
LogP3.68
Rot. Bonds5

About (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide

(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide (PubChem CID 99932597) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
PubChem CID99932597
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-22-20(23)19-14-8-9-15-24-19/h2-7,10-13,19H,8-9,14-16H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyRZEATZNZNWEYPS-IBGZPJMESA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
CID 66169153
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-(4-chloro-2,2-dimethylbutyl)oxane-2-carboxamide
CID 106142571
N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 47472788
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
3-methyl-2-[(oxane-2-carbonylamino)methyl]butanoic acid
CID 65219907
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide?
The IUPAC name of (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide (CID 99932597) is (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide?
The canonical SMILES for (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide is CC(CNC(=O)[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide?
The InChIKey is RZEATZNZNWEYPS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-22-20(23)19-14-8-9-15-24-19/h2-7,10-13,19H,8-9,14-16H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide?
(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide is sourced from PubChem (CID 99932597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).