N-(5-chloro-4-methylpentyl)-3-methylpentanamide

C12H24ClNO — CID 106157142

IUPACN-(5-chloro-4-methylpentyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCCC(C)CCl
InChIInChI=1S/C12H24ClNO/c1-4-10(2)8-12(15)14-7-5-6-11(3)9-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyVIQRBBQHPUGMFL-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.19
Rot. Bonds8

About N-(5-chloro-4-methylpentyl)-3-methylpentanamide

N-(5-chloro-4-methylpentyl)-3-methylpentanamide (PubChem CID 106157142) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-3-methylpentanamide
PubChem CID106157142
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-(5-chloro-4-methylpentyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCCC(C)CCl
InChIInChI=1S/C12H24ClNO/c1-4-10(2)8-12(15)14-7-5-6-11(3)9-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyVIQRBBQHPUGMFL-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.19
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

3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082
N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
CID 106157136
4-methylhexylurea
CID 59582725
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide
CID 106156966
methyl N-(4-methylhexyl)carbamate
CID 126664152
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-3-methylpentanamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-3-methylpentanamide (CID 106157142) is N-(5-chloro-4-methylpentyl)-3-methylpentanamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-3-methylpentanamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-3-methylpentanamide is CCC(C)CC(=O)NCCCC(C)CCl.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-3-methylpentanamide?
The InChIKey is VIQRBBQHPUGMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-4-10(2)8-12(15)14-7-5-6-11(3)9-13/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(5-chloro-4-methylpentyl)-3-methylpentanamide?
N-(5-chloro-4-methylpentyl)-3-methylpentanamide has a molecular weight of 233.78 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-3-methylpentanamide is sourced from PubChem (CID 106157142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).