N-decyl-7,7-dimethyloctanamide

C20H41NO — CID 139961894

IUPACN-decyl-7,7-dimethyloctanamide
SMILESCCCCCCCCCCNC(=O)CCCCCC(C)(C)C
InChIInChI=1S/C20H41NO/c1-5-6-7-8-9-10-11-15-18-21-19(22)16-13-12-14-17-20(2,3)4/h5-18H2,1-4H3,(H,21,22)
InChIKeyXPCKOETXNAROFL-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.24
Rot. Bonds14

About N-decyl-7,7-dimethyloctanamide

N-decyl-7,7-dimethyloctanamide (PubChem CID 139961894) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N-decyl-7,7-dimethyloctanamide.

Molecular Properties

Compound NameN-decyl-7,7-dimethyloctanamide
PubChem CID139961894
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN-decyl-7,7-dimethyloctanamide
SMILESCCCCCCCCCCNC(=O)CCCCCC(C)(C)C
InChIInChI=1S/C20H41NO/c1-5-6-7-8-9-10-11-15-18-21-19(22)16-13-12-14-17-20(2,3)4/h5-18H2,1-4H3,(H,21,22)
InChIKeyXPCKOETXNAROFL-UHFFFAOYSA-N
XLogP6.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-decyl-7,7-dimethyloctanamide 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

N-butyl-10,10-dimethylundecanamide
CID 19922141
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of N-decyl-7,7-dimethyloctanamide?
The IUPAC name of N-decyl-7,7-dimethyloctanamide (CID 139961894) is N-decyl-7,7-dimethyloctanamide.
What is the SMILES notation for N-decyl-7,7-dimethyloctanamide?
The canonical SMILES for N-decyl-7,7-dimethyloctanamide is CCCCCCCCCCNC(=O)CCCCCC(C)(C)C.
What is the InChIKey of N-decyl-7,7-dimethyloctanamide?
The InChIKey is XPCKOETXNAROFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-5-6-7-8-9-10-11-15-18-21-19(22)16-13-12-14-17-20(2,3)4/h5-18H2,1-4H3,(H,21,22).
What are the key properties of N-decyl-7,7-dimethyloctanamide?
N-decyl-7,7-dimethyloctanamide has a molecular weight of 311.55 g/mol, XLogP of 6.24, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-7,7-dimethyloctanamide is sourced from PubChem (CID 139961894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).