3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide

C18H35NO2 — CID 178052296

IUPAC3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide
SMILESCCC(=O)CCCCCNC(=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H35NO2/c1-7-15(20)11-9-8-10-12-19-16(21)13-18(5,6)14-17(2,3)4/h7-14H2,1-6H3,(H,19,21)
InChIKeyKUKDCDQPWQNNDU-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.49
Rot. Bonds10

About 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide

3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide (PubChem CID 178052296) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide
PubChem CID178052296
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide
SMILESCCC(=O)CCCCCNC(=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H35NO2/c1-7-15(20)11-9-8-10-12-19-16(21)13-18(5,6)14-17(2,3)4/h7-14H2,1-6H3,(H,19,21)
InChIKeyKUKDCDQPWQNNDU-UHFFFAOYSA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,4-trimethylpentan-2-yl N-(5-oxoheptyl)carbamate
CID 170945583
N-(10-oxododecyl)acetamide
CID 164677162
N-(4-oxohexyl)octadecanamide
CID 90448629
N-(4-oxohexyl)pentadecanamide
CID 170421941
ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide
CID 162725840
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
8-oxo-N-propyldecanamide
CID 156819961
N-(8-oxodecyl)-2-(propan-2-ylamino)acetamide
CID 156798496
N-hexadecyl-4-oxohexanamide
CID 59141452
1-methyl-3-(7-oxononyl)urea
CID 158424786
2-ethoxy-N-(8-oxodecyl)acetamide;molecular hydrogen
CID 171554520
N-(6-oxooctyl)-4-propoxybutanamide
CID 170362710

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide?
The IUPAC name of 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide (CID 178052296) is 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide?
The canonical SMILES for 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide is CCC(=O)CCCCCNC(=O)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide?
The InChIKey is KUKDCDQPWQNNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-7-15(20)11-9-8-10-12-19-16(21)13-18(5,6)14-17(2,3)4/h7-14H2,1-6H3,(H,19,21).
What are the key properties of 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide?
3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide has a molecular weight of 297.48 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide is sourced from PubChem (CID 178052296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).