6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide

C23H47N3O2 — CID 155105943

IUPAC6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide
SMILESCN(CCCC(=O)NCCCCCC(=O)NCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H47N3O2/c1-22(2,3)16-10-12-18-25-20(27)14-9-8-11-17-24-21(28)15-13-19-26(7)23(4,5)6/h8-19H2,1-7H3,(H,24,28)(H,25,27)
InChIKeyNFWPULRSCQEHFC-UHFFFAOYSA-N
MW397.65 g/mol
LogP4.51
Rot. Bonds14

About 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide

6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide (PubChem CID 155105943) has the molecular formula C23H47N3O2 and a molecular weight of 397.65 g/mol. Its IUPAC name is 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide.

Molecular Properties

Compound Name6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide
PubChem CID155105943
Molecular FormulaC23H47N3O2
Molecular Weight397.65 g/mol
Exact Mass397.37
IUPAC Name6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide
SMILESCN(CCCC(=O)NCCCCCC(=O)NCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H47N3O2/c1-22(2,3)16-10-12-18-25-20(27)14-9-8-11-17-24-21(28)15-13-19-26(7)23(4,5)6/h8-19H2,1-7H3,(H,24,28)(H,25,27)
InChIKeyNFWPULRSCQEHFC-UHFFFAOYSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3,3-dimethylbutanoylamino)hexyl]-3,3-dimethylbutanamide
CID 4454112
N,N'-(iminodiethane-2,1-diyl)di(neononanamide)
CID 169543566
N-[2-(4,4-dimethylpentanoylamino)ethyl]-4,4-dimethylpentanamide
CID 20155942
N-[3-(tert-butylamino)propyl]-5,5-dimethylhexanamide
CID 20732636
2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide
CID 20759424
2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide
CID 20759426
12-(2,2-dimethylbutanoylamino)-N-methyldodecanamide
CID 21138355
N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide
CID 21297051
3-[[2,2-Dimethyl-4-(2-oxopyrrolidin-1-yl)hexanoyl]amino]propyl-trimethylazanium
CID 22955602
N-tert-butyl-1-methyl-4-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 23388585
N-butyl-5,5-dimethylhexanamide
CID 53867866
4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide
CID 54234958

Frequently Asked Questions

What is the IUPAC name of 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide?
The IUPAC name of 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide (CID 155105943) is 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide.
What is the SMILES notation for 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide?
The canonical SMILES for 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide is CN(CCCC(=O)NCCCCCC(=O)NCCCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide?
The InChIKey is NFWPULRSCQEHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O2/c1-22(2,3)16-10-12-18-25-20(27)14-9-8-11-17-24-21(28)15-13-19-26(7)23(4,5)6/h8-19H2,1-7H3,(H,24,28)(H,25,27).
What are the key properties of 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide?
6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide has a molecular weight of 397.65 g/mol, XLogP of 4.51, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[tert-butyl(methyl)amino]butanoylamino]-N-(5,5-dimethylhexyl)hexanamide is sourced from PubChem (CID 155105943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).