N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide

C18H25NO3 — CID 133117595

IUPACN-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C(C)C)O[C@@H](c2cccc(C(C)=O)c2)C1
InChIInChI=1S/C18H25NO3/c1-11(2)17-9-16(19-13(4)21)10-18(22-17)15-7-5-6-14(8-15)12(3)20/h5-8,11,16-18H,9-10H2,1-4H3,(H,19,21)/t16-,17-,18+/m0/s1
InChIKeyFBKAQMHYOCOUMH-OKZBNKHCSA-N
MW303.40 g/mol
LogP3.27
Rot. Bonds4

About N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide

N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide (PubChem CID 133117595) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide
PubChem CID133117595
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](C(C)C)O[C@@H](c2cccc(C(C)=O)c2)C1
InChIInChI=1S/C18H25NO3/c1-11(2)17-9-16(19-13(4)21)10-18(22-17)15-7-5-6-14(8-15)12(3)20/h5-8,11,16-18H,9-10H2,1-4H3,(H,19,21)/t16-,17-,18+/m0/s1
InChIKeyFBKAQMHYOCOUMH-OKZBNKHCSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide (CID 133117595) is N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](C(C)C)O[C@@H](c2cccc(C(C)=O)c2)C1.
What is the InChIKey of N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
The InChIKey is FBKAQMHYOCOUMH-OKZBNKHCSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11(2)17-9-16(19-13(4)21)10-18(22-17)15-7-5-6-14(8-15)12(3)20/h5-8,11,16-18H,9-10H2,1-4H3,(H,19,21)/t16-,17-,18+/m0/s1.
What are the key properties of N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide?
N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide is sourced from PubChem (CID 133117595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).