N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide

C13H26ClNO — CID 106254168

IUPACN-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(CC)(CC)CCl
InChIInChI=1S/C13H26ClNO/c1-5-11(4)8-12(16)15-10-13(6-2,7-3)9-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyOWRGIZAEYLIMED-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.58
Rot. Bonds8

About N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide

N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide (PubChem CID 106254168) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide
PubChem CID106254168
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC NameN-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(CC)(CC)CCl
InChIInChI=1S/C13H26ClNO/c1-5-11(4)8-12(16)15-10-13(6-2,7-3)9-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyOWRGIZAEYLIMED-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-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
CID 114875415
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylpentanamide
CID 103525819
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide
CID 114877077
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide
CID 106168655

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide?
The IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide (CID 106254168) is N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide.
What is the SMILES notation for N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide?
The canonical SMILES for N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide is CCC(C)CC(=O)NCC(CC)(CC)CCl.
What is the InChIKey of N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide?
The InChIKey is OWRGIZAEYLIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-5-11(4)8-12(16)15-10-13(6-2,7-3)9-14/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide?
N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide 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-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide is sourced from PubChem (CID 106254168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).