N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide

C13H24ClNO2 — CID 106144658

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide
SMILESCC(C)(CCCCl)CNC(=O)CC1CCCO1
InChIInChI=1S/C13H24ClNO2/c1-13(2,6-4-7-14)10-15-12(16)9-11-5-3-8-17-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyPZOTUQMHFQPMFO-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.72
Rot. Bonds7

About N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide

N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide (PubChem CID 106144658) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide
PubChem CID106144658
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide
SMILESCC(C)(CCCCl)CNC(=O)CC1CCCO1
InChIInChI=1S/C13H24ClNO2/c1-13(2,6-4-7-14)10-15-12(16)9-11-5-3-8-17-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyPZOTUQMHFQPMFO-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.72
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-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
CID 115364529
N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide
CID 103899551
N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
CID 106143879
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
CID 103843667
N-(2-methylprop-2-enyl)-2-(oxolan-2-yl)acetamide
CID 114618448
2-[(2R)-oxolan-2-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
CID 97068683
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide (CID 106144658) is N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide is CC(C)(CCCCl)CNC(=O)CC1CCCO1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is PZOTUQMHFQPMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c1-13(2,6-4-7-14)10-15-12(16)9-11-5-3-8-17-11/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide?
N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 261.79 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 106144658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).