N-(1-chloro-3-methylbutan-2-yl)hexanamide

C11H22ClNO — CID 114305402

IUPACN-(1-chloro-3-methylbutan-2-yl)hexanamide
SMILESCCCCCC(=O)NC(CCl)C(C)C
InChIInChI=1S/C11H22ClNO/c1-4-5-6-7-11(14)13-10(8-12)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyWFKILZOETHRNGU-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.95
Rot. Bonds7

About N-(1-chloro-3-methylbutan-2-yl)hexanamide

N-(1-chloro-3-methylbutan-2-yl)hexanamide (PubChem CID 114305402) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)hexanamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)hexanamide
PubChem CID114305402
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)hexanamide
SMILESCCCCCC(=O)NC(CCl)C(C)C
InChIInChI=1S/C11H22ClNO/c1-4-5-6-7-11(14)13-10(8-12)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyWFKILZOETHRNGU-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
N-(1-bromo-3-methylbutan-2-yl)dodecanamide
CID 114316280
N-(1-bromo-4-methylpentan-3-yl)hexanamide
CID 106355062
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
N-pentan-2-ylundecanamide
CID 173258559
2-(dodecanoylamino)propanoyl chloride
CID 146268547

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)hexanamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)hexanamide (CID 114305402) is N-(1-chloro-3-methylbutan-2-yl)hexanamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)hexanamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)hexanamide is CCCCCC(=O)NC(CCl)C(C)C.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)hexanamide?
The InChIKey is WFKILZOETHRNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-4-5-6-7-11(14)13-10(8-12)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)hexanamide?
N-(1-chloro-3-methylbutan-2-yl)hexanamide has a molecular weight of 219.76 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)hexanamide is sourced from PubChem (CID 114305402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).