N-(4-chloro-2-methylbutyl)nonanamide

C14H28ClNO — CID 114306121

IUPACN-(4-chloro-2-methylbutyl)nonanamide
SMILESCCCCCCCCC(=O)NCC(C)CCCl
InChIInChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-14(17)16-12-13(2)10-11-15/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyLQTVQFGSXCAVLF-UHFFFAOYSA-N
MW261.84 g/mol
LogP4.12
Rot. Bonds11

About N-(4-chloro-2-methylbutyl)nonanamide

N-(4-chloro-2-methylbutyl)nonanamide (PubChem CID 114306121) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)nonanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)nonanamide
PubChem CID114306121
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN-(4-chloro-2-methylbutyl)nonanamide
SMILESCCCCCCCCC(=O)NCC(C)CCCl
InChIInChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-14(17)16-12-13(2)10-11-15/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyLQTVQFGSXCAVLF-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 54.12
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-(2-methylpentyl)hexanamide
CID 173325003
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(3-chlorobutyl)heptanamide
CID 114753993
N-(2-chloro-3-methylbutyl)heptanamide
CID 114754075
N-(2-aminopropyl)octadecanamide
CID 86003506
N-(3-chlorobutyl)hexanamide
CID 114301760
N-(3-chloropropyl)dodecanamide
CID 17164369
7-amino-N-(2-methylbutyl)heptanamide
CID 62693522
5-chloro-N-nonylpentanamide
CID 91692760
N-[2-methyl-3-(methylamino)propyl]pentanamide
CID 81479545
N-(5-chloropentyl)dodecanamide
CID 107321143

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)nonanamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)nonanamide (CID 114306121) is N-(4-chloro-2-methylbutyl)nonanamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)nonanamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)nonanamide is CCCCCCCCC(=O)NCC(C)CCCl.
What is the InChIKey of N-(4-chloro-2-methylbutyl)nonanamide?
The InChIKey is LQTVQFGSXCAVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-14(17)16-12-13(2)10-11-15/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methylbutyl)nonanamide?
N-(4-chloro-2-methylbutyl)nonanamide has a molecular weight of 261.84 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)nonanamide is sourced from PubChem (CID 114306121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).