N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide

C17H24ClNO2 — CID 133138062

IUPACN-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClNO2/c1-11(2)8-16-9-15(19-12(3)20)10-17(21-16)13-4-6-14(18)7-5-13/h4-7,11,15-17H,8-10H2,1-3H3,(H,19,20)/t15-,16+,17+/m1/s1
InChIKeyCAROBMYFUXJONT-IKGGRYGDSA-N
MW309.84 g/mol
LogP4.11
Rot. Bonds4

About N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide (PubChem CID 133138062) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide
PubChem CID133138062
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC NameN-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClNO2/c1-11(2)8-16-9-15(19-12(3)20)10-17(21-16)13-4-6-14(18)7-5-13/h4-7,11,15-17H,8-10H2,1-3H3,(H,19,20)/t15-,16+,17+/m1/s1
InChIKeyCAROBMYFUXJONT-IKGGRYGDSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide (CID 133138062) is N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide?
The InChIKey is CAROBMYFUXJONT-IKGGRYGDSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-11(2)8-16-9-15(19-12(3)20)10-17(21-16)13-4-6-14(18)7-5-13/h4-7,11,15-17H,8-10H2,1-3H3,(H,19,20)/t15-,16+,17+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide has a molecular weight of 309.84 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide is sourced from PubChem (CID 133138062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).