2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide

C21H43NO — CID 170184145

IUPAC2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide
SMILESCCCCC(C)C(CCC)NC(=O)C(C)(CCCC)CCCC
InChIInChI=1S/C21H43NO/c1-7-11-15-18(5)19(14-10-4)22-20(23)21(6,16-12-8-2)17-13-9-3/h18-19H,7-17H2,1-6H3,(H,22,23)
InChIKeyOPVTXBACTWHAFE-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.48
Rot. Bonds14

About 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide

2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide (PubChem CID 170184145) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide.

Molecular Properties

Compound Name2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide
PubChem CID170184145
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide
SMILESCCCCC(C)C(CCC)NC(=O)C(C)(CCCC)CCCC
InChIInChI=1S/C21H43NO/c1-7-11-15-18(5)19(14-10-4)22-20(23)21(6,16-12-8-2)17-13-9-3/h18-19H,7-17H2,1-6H3,(H,22,23)
InChIKeyOPVTXBACTWHAFE-UHFFFAOYSA-N
XLogP6.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide
CID 122599066
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
2,2,6,7-tetramethylundecane
CID 123602815
2-hexyl-N-hydroxy-2-methyloctanamide
CID 170033401
2-tert-butyl-N-propan-2-ylhexanamide
CID 21366386
methyl 3-hydroxy-2,3-dimethylheptanoate
CID 6422821
2-butyl-2-methylhexanoic acid
CID 15930803
2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide
CID 129033928
N-tert-butyl-2-ethyl-2-methylhexanamide
CID 146411812
(2-hydroxy-2-methylheptan-3-yl)carbamic acid
CID 90115591
2-butyl-2-ethyl-4,4,6-trimethyl-7-propyloctanedioic acid
CID 150936957
2-butyl-2-methyl-N-[methylsulfanyl(phenyl)methyl]nonanamide
CID 155242545

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide?
The IUPAC name of 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide (CID 170184145) is 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide.
What is the SMILES notation for 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide?
The canonical SMILES for 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide is CCCCC(C)C(CCC)NC(=O)C(C)(CCCC)CCCC.
What is the InChIKey of 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide?
The InChIKey is OPVTXBACTWHAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-7-11-15-18(5)19(14-10-4)22-20(23)21(6,16-12-8-2)17-13-9-3/h18-19H,7-17H2,1-6H3,(H,22,23).
What are the key properties of 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide?
2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide has a molecular weight of 325.58 g/mol, XLogP of 6.48, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide is sourced from PubChem (CID 170184145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).