2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide

C11H20ClNO2 — CID 146098263

IUPAC2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide
SMILESCC(C)CC1COCCC1NC(=O)CCl
InChIInChI=1S/C11H20ClNO2/c1-8(2)5-9-7-15-4-3-10(9)13-11(14)6-12/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyDBJHRWPVTDGDTE-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.79
Rot. Bonds4

About 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide

2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide (PubChem CID 146098263) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide
PubChem CID146098263
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide
SMILESCC(C)CC1COCCC1NC(=O)CCl
InChIInChI=1S/C11H20ClNO2/c1-8(2)5-9-7-15-4-3-10(9)13-11(14)6-12/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyDBJHRWPVTDGDTE-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.79
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

N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
4-(2-methylpropyl)oxolane-3-carboxylic acid
CID 84766287
4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
N-(3-aminooxan-4-yl)acetamide
CID 83619330
N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide
CID 106366913
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide (CID 146098263) is 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide is CC(C)CC1COCCC1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide?
The InChIKey is DBJHRWPVTDGDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-8(2)5-9-7-15-4-3-10(9)13-11(14)6-12/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide?
2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide has a molecular weight of 233.74 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide is sourced from PubChem (CID 146098263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).