N,N-bis(2-methylpropyl)octanamide

C16H33NO — CID 304116

IUPACN,N-bis(2-methylpropyl)octanamide
SMILESCCCCCCCC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H33NO/c1-6-7-8-9-10-11-16(18)17(12-14(2)3)13-15(4)5/h14-15H,6-13H2,1-5H3
InChIKeyYYHSXMTVMUNRER-UHFFFAOYSA-N
MW255.44 g/mol
LogP5.40
Rot. Bonds10

About N,N-bis(2-methylpropyl)octanamide

N,N-bis(2-methylpropyl)octanamide (PubChem CID 304116) has the molecular formula C16H33NO and a molecular weight of 255.44 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)octanamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)octanamide
PubChem CID304116
Molecular FormulaC16H33NO
Molecular Weight255.44 g/mol
Exact Mass255.26
IUPAC NameN,N-bis(2-methylpropyl)octanamide
SMILESCCCCCCCC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H33NO/c1-6-7-8-9-10-11-16(18)17(12-14(2)3)13-15(4)5/h14-15H,6-13H2,1-5H3
InChIKeyYYHSXMTVMUNRER-UHFFFAOYSA-N
XLogP5.40
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity201

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Laurocapram
CID 42981
N,N-Diethyldodecanamide
CID 18783
1-(1-Pyrrolidinyl)-1-hexadecanone
CID 247220
Dimethyl myristamide
CID 76388
Hexadecanamide, N,N-dimethyl-
CID 19766
Diethyl caprylamide
CID 70456
N,N-Dimethylstearamide
CID 19765
N,N-Dibutyldodecanamide
CID 219313
N-(14-Methylhexadecanoyl)pyrrolidine
CID 6430518
N,N-Diethyldecanamide
CID 304087
N-(2-methylpropyl)dodecanamide
CID 345934
Pyrrolidine, 1-stearoyl-
CID 574659

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)octanamide?
The IUPAC name of N,N-bis(2-methylpropyl)octanamide (CID 304116) is N,N-bis(2-methylpropyl)octanamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)octanamide?
The canonical SMILES for N,N-bis(2-methylpropyl)octanamide is CCCCCCCC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)octanamide?
The InChIKey is YYHSXMTVMUNRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-7-8-9-10-11-16(18)17(12-14(2)3)13-15(4)5/h14-15H,6-13H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)octanamide?
N,N-bis(2-methylpropyl)octanamide has a molecular weight of 255.44 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)octanamide is sourced from PubChem (CID 304116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).