2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide

C17H23NO3 — CID 125440939

IUPAC2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide
SMILESO=C(C[C@@H]1CCOC1)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H23NO3/c19-16(12-14-6-9-21-13-14)18-17(7-10-20-11-8-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,18,19)/t14-/m0/s1
InChIKeyVFBZWRIFJJJLAT-AWEZNQCLSA-N
MW289.37 g/mol
LogP2.24
Rot. Bonds4

About 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide

2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide (PubChem CID 125440939) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide
PubChem CID125440939
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide
SMILESO=C(C[C@@H]1CCOC1)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H23NO3/c19-16(12-14-6-9-21-13-14)18-17(7-10-20-11-8-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,18,19)/t14-/m0/s1
InChIKeyVFBZWRIFJJJLAT-AWEZNQCLSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 125442413
N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide
CID 122561612
2-cyclohexyl-N-(1-phenylcyclobutyl)acetamide
CID 55461959
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 125444862
N-(1-methylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 130676396
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(4-phenyloxan-4-yl)acetamide
CID 125446924
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide
CID 130330486
2-(cyclopropylmethylamino)-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 119697176
N-(3,3-diphenylpropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126442635
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide?
The IUPAC name of 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide (CID 125440939) is 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide?
The canonical SMILES for 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide is O=C(C[C@@H]1CCOC1)NC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide?
The InChIKey is VFBZWRIFJJJLAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(12-14-6-9-21-13-14)18-17(7-10-20-11-8-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,18,19)/t14-/m0/s1.
What are the key properties of 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide?
2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide has a molecular weight of 289.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide is sourced from PubChem (CID 125440939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).