N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide

C26H52N2O2 — CID 21297051

IUPACN-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide
SMILESCC(C)(C)CCCCCC(=O)NCCCCCCNC(=O)CCCCCC(C)(C)C
InChIInChI=1S/C26H52N2O2/c1-25(2,3)19-13-9-11-17-23(29)27-21-15-7-8-16-22-28-24(30)18-12-10-14-20-26(4,5)6/h7-22H2,1-6H3,(H,27,29)(H,28,30)
InChIKeyVCRNCBRXJQZWNU-UHFFFAOYSA-N
MW424.71 g/mol
LogP6.77
Rot. Bonds17

About N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide

N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide (PubChem CID 21297051) has the molecular formula C26H52N2O2 and a molecular weight of 424.71 g/mol. Its IUPAC name is N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide.

Molecular Properties

Compound NameN-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide
PubChem CID21297051
Molecular FormulaC26H52N2O2
Molecular Weight424.71 g/mol
Exact Mass424.40
IUPAC NameN-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide
SMILESCC(C)(C)CCCCCC(=O)NCCCCCCNC(=O)CCCCCC(C)(C)C
InChIInChI=1S/C26H52N2O2/c1-25(2,3)19-13-9-11-17-23(29)27-21-15-7-8-16-22-28-24(30)18-12-10-14-20-26(4,5)6/h7-22H2,1-6H3,(H,27,29)(H,28,30)
InChIKeyVCRNCBRXJQZWNU-UHFFFAOYSA-N
XLogP6.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 345934
Dodecanamide, N-hexyl-
CID 3505480
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CID 105621
Dodecanamide, N-butyl-
CID 94896
Decanamide, N,N'-1,2-ethanediylbis-
CID 283611
N-(2-Methylpropyl)hexacosanamide
CID 14162529
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]dodecanamide
CID 11151928
3-cyclopentyl-N-{3-[(3-cyclopentylpropanoyl)amino]-2,2-dimethylpropyl}propanamide
CID 3940466
Hexadecanamide, N-(3-aminopropyl)-
CID 78611
N-(3-Aminopropyl)myristamide
CID 83522
Hexadecanoic Acid Propylamide
CID 10379895
N-(2-methylbutyl)dodecanamide
CID 122184887

Frequently Asked Questions

What is the IUPAC name of N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide?
The IUPAC name of N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide (CID 21297051) is N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide.
What is the SMILES notation for N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide?
The canonical SMILES for N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide is CC(C)(C)CCCCCC(=O)NCCCCCCNC(=O)CCCCCC(C)(C)C.
What is the InChIKey of N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide?
The InChIKey is VCRNCBRXJQZWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O2/c1-25(2,3)19-13-9-11-17-23(29)27-21-15-7-8-16-22-28-24(30)18-12-10-14-20-26(4,5)6/h7-22H2,1-6H3,(H,27,29)(H,28,30).
What are the key properties of N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide?
N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide has a molecular weight of 424.71 g/mol, XLogP of 6.77, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(7,7-dimethyloctanoylamino)hexyl]-7,7-dimethyloctanamide is sourced from PubChem (CID 21297051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).