2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide

C10H20ClNO2 — CID 167788378

IUPAC2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
SMILESCC[C@@H](COC(C)(C)C)NC(=O)CCl
InChIInChI=1S/C10H20ClNO2/c1-5-8(12-9(13)6-11)7-14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyFNHZFSKVYPCSAJ-QMMMGPOBSA-N
MW221.72 g/mol
LogP2.00
Rot. Bonds6

About 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide

2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide (PubChem CID 167788378) has the molecular formula C10H20ClNO2 and a molecular weight of 221.72 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
PubChem CID167788378
Molecular FormulaC10H20ClNO2
Molecular Weight221.72 g/mol
Exact Mass221.12
IUPAC Name2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
SMILESCC[C@@H](COC(C)(C)C)NC(=O)CCl
InChIInChI=1S/C10H20ClNO2/c1-5-8(12-9(13)6-11)7-14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyFNHZFSKVYPCSAJ-QMMMGPOBSA-N
XLogP2.00
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity177

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide (CID 167788378) is 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide is CC[C@@H](COC(C)(C)C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
The InChIKey is FNHZFSKVYPCSAJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-5-8(12-9(13)6-11)7-14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide has a molecular weight of 221.72 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide is sourced from PubChem (CID 167788378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).