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
MW221.73 g/mol
LogP1.94
Rot. Bonds5

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 221.73 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 Weight221.73 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
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid
CID 87382476
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602720
3-chloro-N-pentan-3-ylpropanamide
CID 16783824
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl 2-[[2-[(2-chloroacetyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoate
CID 175548223
tert-butyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 174668046
2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
CID 162712779
N-[3-methyl-3-[3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentoxy]pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 170265691

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 221.73 g/mol, XLogP of 1.94, 5 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).