N-(3-chloro-4-methoxybutyl)nonanamide

C14H28ClNO2 — CID 114163175

IUPACN-(3-chloro-4-methoxybutyl)nonanamide
SMILESCCCCCCCCC(=O)NCCC(Cl)COC
InChIInChI=1S/C14H28ClNO2/c1-3-4-5-6-7-8-9-14(17)16-11-10-13(15)12-18-2/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyUWEXWNJUUJXCGK-UHFFFAOYSA-N
MW277.84 g/mol
LogP3.50
Rot. Bonds12

About N-(3-chloro-4-methoxybutyl)nonanamide

N-(3-chloro-4-methoxybutyl)nonanamide (PubChem CID 114163175) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)nonanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)nonanamide
PubChem CID114163175
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC NameN-(3-chloro-4-methoxybutyl)nonanamide
SMILESCCCCCCCCC(=O)NCCC(Cl)COC
InChIInChI=1S/C14H28ClNO2/c1-3-4-5-6-7-8-9-14(17)16-11-10-13(15)12-18-2/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyUWEXWNJUUJXCGK-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-hydroxy-4-methoxybutyl)octanamide
CID 103877091
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
N-(3-bromo-4-methoxybutyl)dodecanamide
CID 106245142
N-(3-chlorobutyl)heptanamide
CID 114753993
N-(3-chlorobutyl)hexanamide
CID 114301760
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N-(3-chloro-4-methoxybutyl)-2-methylbutanamide
CID 106244043
N-hexadecylhexanamide
CID 4953738
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)nonanamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)nonanamide (CID 114163175) is N-(3-chloro-4-methoxybutyl)nonanamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)nonanamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)nonanamide is CCCCCCCCC(=O)NCCC(Cl)COC.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)nonanamide?
The InChIKey is UWEXWNJUUJXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO2/c1-3-4-5-6-7-8-9-14(17)16-11-10-13(15)12-18-2/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methoxybutyl)nonanamide?
N-(3-chloro-4-methoxybutyl)nonanamide has a molecular weight of 277.84 g/mol, XLogP of 3.50, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)nonanamide is sourced from PubChem (CID 114163175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).