N'-(7,7-dimethyloctyl)-N-methyldecanediamide

C21H42N2O2 — CID 167085333

IUPACN'-(7,7-dimethyloctyl)-N-methyldecanediamide
SMILESCNC(=O)CCCCCCCCC(=O)NCCCCCCC(C)(C)C
InChIInChI=1S/C21H42N2O2/c1-21(2,3)17-13-9-10-14-18-23-20(25)16-12-8-6-5-7-11-15-19(24)22-4/h5-18H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPWUNTRCLQXBQRM-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.97
Rot. Bonds15

About N'-(7,7-dimethyloctyl)-N-methyldecanediamide

N'-(7,7-dimethyloctyl)-N-methyldecanediamide (PubChem CID 167085333) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is N'-(7,7-dimethyloctyl)-N-methyldecanediamide.

Molecular Properties

Compound NameN'-(7,7-dimethyloctyl)-N-methyldecanediamide
PubChem CID167085333
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC NameN'-(7,7-dimethyloctyl)-N-methyldecanediamide
SMILESCNC(=O)CCCCCCCCC(=O)NCCCCCCC(C)(C)C
InChIInChI=1S/C21H42N2O2/c1-21(2,3)17-13-9-10-14-18-23-20(25)16-12-8-6-5-7-11-15-19(24)22-4/h5-18H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPWUNTRCLQXBQRM-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(7,7-dimethyloctyl)-N-methyldecanediamide 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-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
N-butyl-10,10-dimethylundecanamide
CID 19922141
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
N'-(7,7-dimethyloctyl)-12-oxo-N-propan-2-ylpentacosanediamide
CID 163866236
8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide
CID 91426047
6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
CID 169247906
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
1-aminopropan-2-ol;6-(6,6-dimethylheptanoylamino)hexanoic acid
CID 138402047
N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
CID 165080443

Frequently Asked Questions

What is the IUPAC name of N'-(7,7-dimethyloctyl)-N-methyldecanediamide?
The IUPAC name of N'-(7,7-dimethyloctyl)-N-methyldecanediamide (CID 167085333) is N'-(7,7-dimethyloctyl)-N-methyldecanediamide.
What is the SMILES notation for N'-(7,7-dimethyloctyl)-N-methyldecanediamide?
The canonical SMILES for N'-(7,7-dimethyloctyl)-N-methyldecanediamide is CNC(=O)CCCCCCCCC(=O)NCCCCCCC(C)(C)C.
What is the InChIKey of N'-(7,7-dimethyloctyl)-N-methyldecanediamide?
The InChIKey is PWUNTRCLQXBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-21(2,3)17-13-9-10-14-18-23-20(25)16-12-8-6-5-7-11-15-19(24)22-4/h5-18H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-(7,7-dimethyloctyl)-N-methyldecanediamide?
N'-(7,7-dimethyloctyl)-N-methyldecanediamide has a molecular weight of 354.58 g/mol, XLogP of 4.97, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7,7-dimethyloctyl)-N-methyldecanediamide is sourced from PubChem (CID 167085333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).