N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide

C13H26ClNO — CID 106144319

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C13H26ClNO/c1-5-11(6-2)12(16)15-10-13(3,4)8-7-9-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyIFKKDYONAVFRFJ-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.58
Rot. Bonds8

About N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide

N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide (PubChem CID 106144319) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
PubChem CID106144319
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C13H26ClNO/c1-5-11(6-2)12(16)15-10-13(3,4)8-7-9-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyIFKKDYONAVFRFJ-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
CID 106145033
N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide
CID 106144537
N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide
CID 108573864
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144604
2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 113245983
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
N-(5-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
CID 106144164
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide (CID 106144319) is N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide is CCC(CC)C(=O)NCC(C)(C)CCCCl.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide?
The InChIKey is IFKKDYONAVFRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-5-11(6-2)12(16)15-10-13(3,4)8-7-9-14/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide?
N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide has a molecular weight of 247.81 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide is sourced from PubChem (CID 106144319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).