N,11-dimethyl-3-nonylicosanamide;ethane;methane

C34H73NO — CID 156743753

IUPACN,11-dimethyl-3-nonylicosanamide;ethane;methane
SMILESC.CC.CCCCCCCCCC(C)CCCCCCCC(CCCCCCCCC)CC(=O)NC
InChIInChI=1S/C31H63NO.C2H6.CH4/c1-5-7-9-11-13-16-20-24-29(3)25-21-17-15-19-23-27-30(28-31(33)32-4)26-22-18-14-12-10-8-6-2;1-2;/h29-30H,5-28H2,1-4H3,(H,32,33);1-2H3;1H4
InChIKeyFPYLZUMRJZSMMF-UHFFFAOYSA-N
MW511.96 g/mol
LogP12.05
Rot. Bonds26

About N,11-dimethyl-3-nonylicosanamide;ethane;methane

N,11-dimethyl-3-nonylicosanamide;ethane;methane (PubChem CID 156743753) has the molecular formula C34H73NO and a molecular weight of 511.96 g/mol. Its IUPAC name is N,11-dimethyl-3-nonylicosanamide;ethane;methane.

Molecular Properties

Compound NameN,11-dimethyl-3-nonylicosanamide;ethane;methane
PubChem CID156743753
Molecular FormulaC34H73NO
Molecular Weight511.96 g/mol
Exact Mass511.57
IUPAC NameN,11-dimethyl-3-nonylicosanamide;ethane;methane
SMILESC.CC.CCCCCCCCCC(C)CCCCCCCC(CCCCCCCCC)CC(=O)NC
InChIInChI=1S/C31H63NO.C2H6.CH4/c1-5-7-9-11-13-16-20-24-29(3)25-21-17-15-19-23-27-30(28-31(33)32-4)26-22-18-14-12-10-8-6-2;1-2;/h29-30H,5-28H2,1-4H3,(H,32,33);1-2H3;1H4
InChIKeyFPYLZUMRJZSMMF-UHFFFAOYSA-N
XLogP12.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.96
LogP ≤ 512.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-N-propan-2-yloctanamide
CID 90867024
13-methyl-24-tetradecyltritetracontane
CID 173071329
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of N,11-dimethyl-3-nonylicosanamide;ethane;methane?
The IUPAC name of N,11-dimethyl-3-nonylicosanamide;ethane;methane (CID 156743753) is N,11-dimethyl-3-nonylicosanamide;ethane;methane.
What is the SMILES notation for N,11-dimethyl-3-nonylicosanamide;ethane;methane?
The canonical SMILES for N,11-dimethyl-3-nonylicosanamide;ethane;methane is C.CC.CCCCCCCCCC(C)CCCCCCCC(CCCCCCCCC)CC(=O)NC.
What is the InChIKey of N,11-dimethyl-3-nonylicosanamide;ethane;methane?
The InChIKey is FPYLZUMRJZSMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63NO.C2H6.CH4/c1-5-7-9-11-13-16-20-24-29(3)25-21-17-15-19-23-27-30(28-31(33)32-4)26-22-18-14-12-10-8-6-2;1-2;/h29-30H,5-28H2,1-4H3,(H,32,33);1-2H3;1H4.
What are the key properties of N,11-dimethyl-3-nonylicosanamide;ethane;methane?
N,11-dimethyl-3-nonylicosanamide;ethane;methane has a molecular weight of 511.96 g/mol, XLogP of 12.05, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,11-dimethyl-3-nonylicosanamide;ethane;methane is sourced from PubChem (CID 156743753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).