N-(2-methylbutyl)dodecanamide

C17H35NO — CID 122184887

IUPACN-(2-methylbutyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(C)CC
InChIInChI=1S/C17H35NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h16H,4-15H2,1-3H3,(H,18,19)
InChIKeyAKCDAPIBMHWMTN-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.07
Rot. Bonds13

About N-(2-methylbutyl)dodecanamide

N-(2-methylbutyl)dodecanamide (PubChem CID 122184887) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-(2-methylbutyl)dodecanamide.

Molecular Properties

Compound NameN-(2-methylbutyl)dodecanamide
PubChem CID122184887
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-(2-methylbutyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(C)CC
InChIInChI=1S/C17H35NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h16H,4-15H2,1-3H3,(H,18,19)
InChIKeyAKCDAPIBMHWMTN-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)dodecanamide?
The IUPAC name of N-(2-methylbutyl)dodecanamide (CID 122184887) is N-(2-methylbutyl)dodecanamide.
What is the SMILES notation for N-(2-methylbutyl)dodecanamide?
The canonical SMILES for N-(2-methylbutyl)dodecanamide is CCCCCCCCCCCC(=O)NCC(C)CC.
What is the InChIKey of N-(2-methylbutyl)dodecanamide?
The InChIKey is AKCDAPIBMHWMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h16H,4-15H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methylbutyl)dodecanamide?
N-(2-methylbutyl)dodecanamide has a molecular weight of 269.47 g/mol, XLogP of 5.07, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)dodecanamide is sourced from PubChem (CID 122184887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).