2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide

C12H23NO3 — CID 162785228

IUPAC2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide
SMILESCC(C)C[C@H](NC(=O)CO)C(=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-8(2)6-9(13-10(15)7-14)11(16)12(3,4)5/h8-9,14H,6-7H2,1-5H3,(H,13,15)/t9-/m0/s1
InChIKeyQYZRVFMYMUSFMY-VIFPVBQESA-N
MW229.32 g/mol
LogP1.12
Rot. Bonds5

About 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide

2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide (PubChem CID 162785228) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide
PubChem CID162785228
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide
SMILESCC(C)C[C@H](NC(=O)CO)C(=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-8(2)6-9(13-10(15)7-14)11(16)12(3,4)5/h8-9,14H,6-7H2,1-5H3,(H,13,15)/t9-/m0/s1
InChIKeyQYZRVFMYMUSFMY-VIFPVBQESA-N
XLogP1.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide (CID 162785228) is 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide is CC(C)C[C@H](NC(=O)CO)C(=O)C(C)(C)C.
What is the InChIKey of 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide?
The InChIKey is QYZRVFMYMUSFMY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)6-9(13-10(15)7-14)11(16)12(3,4)5/h8-9,14H,6-7H2,1-5H3,(H,13,15)/t9-/m0/s1.
What are the key properties of 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide?
2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide has a molecular weight of 229.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide is sourced from PubChem (CID 162785228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).