2-butyl-N-(3-methylbutyl)octanamide

C17H35NO — CID 167250980

IUPAC2-butyl-N-(3-methylbutyl)octanamide
SMILESCCCCCCC(CCCC)C(=O)NCCC(C)C
InChIInChI=1S/C17H35NO/c1-5-7-9-10-12-16(11-8-6-2)17(19)18-14-13-15(3)4/h15-16H,5-14H2,1-4H3,(H,18,19)
InChIKeyJKNSTPPDQICMHB-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.93
Rot. Bonds12

About 2-butyl-N-(3-methylbutyl)octanamide

2-butyl-N-(3-methylbutyl)octanamide (PubChem CID 167250980) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-butyl-N-(3-methylbutyl)octanamide.

Molecular Properties

Compound Name2-butyl-N-(3-methylbutyl)octanamide
PubChem CID167250980
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-butyl-N-(3-methylbutyl)octanamide
SMILESCCCCCCC(CCCC)C(=O)NCCC(C)C
InChIInChI=1S/C17H35NO/c1-5-7-9-10-12-16(11-8-6-2)17(19)18-14-13-15(3)4/h15-16H,5-14H2,1-4H3,(H,18,19)
InChIKeyJKNSTPPDQICMHB-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.93
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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Related Compounds

N-octadecyl-2-octylicosanamide
CID 154636535
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
6-(2-butyloctanoylamino)hexanoic acid
CID 175445274
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
2-ethyl-N-pentylhexanamide
CID 5123867
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-hexyl-N-hydroxyoctanamide
CID 139661264
3-butylundecan-2-one
CID 10922232
2-pentyl-N-prop-2-enylundecanamide
CID 5180097
2-butyl-18-methylnonadecanoic acid
CID 22376972
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(3-methylbutyl)octanamide?
The IUPAC name of 2-butyl-N-(3-methylbutyl)octanamide (CID 167250980) is 2-butyl-N-(3-methylbutyl)octanamide.
What is the SMILES notation for 2-butyl-N-(3-methylbutyl)octanamide?
The canonical SMILES for 2-butyl-N-(3-methylbutyl)octanamide is CCCCCCC(CCCC)C(=O)NCCC(C)C.
What is the InChIKey of 2-butyl-N-(3-methylbutyl)octanamide?
The InChIKey is JKNSTPPDQICMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-7-9-10-12-16(11-8-6-2)17(19)18-14-13-15(3)4/h15-16H,5-14H2,1-4H3,(H,18,19).
What are the key properties of 2-butyl-N-(3-methylbutyl)octanamide?
2-butyl-N-(3-methylbutyl)octanamide has a molecular weight of 269.47 g/mol, XLogP of 4.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(3-methylbutyl)octanamide is sourced from PubChem (CID 167250980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).