2,2-dimethyl-N,N-di(nonyl)propanamide

C23H47NO — CID 532840

IUPAC2,2-dimethyl-N,N-di(nonyl)propanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)C(C)(C)C
InChIInChI=1S/C23H47NO/c1-6-8-10-12-14-16-18-20-24(22(25)23(3,4)5)21-19-17-15-13-11-9-7-2/h6-21H2,1-5H3
InChIKeyAFOUBMTWWBTOHI-UHFFFAOYSA-N
MW353.64 g/mol
LogP7.36
Rot. Bonds16

About 2,2-dimethyl-N,N-di(nonyl)propanamide

2,2-dimethyl-N,N-di(nonyl)propanamide (PubChem CID 532840) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is 2,2-dimethyl-N,N-di(nonyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N,N-di(nonyl)propanamide
PubChem CID532840
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name2,2-dimethyl-N,N-di(nonyl)propanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)C(C)(C)C
InChIInChI=1S/C23H47NO/c1-6-8-10-12-14-16-18-20-24(22(25)23(3,4)5)21-19-17-15-13-11-9-7-2/h6-21H2,1-5H3
InChIKeyAFOUBMTWWBTOHI-UHFFFAOYSA-N
XLogP7.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2,2-dimethyl-N-pentylpropanamide
CID 59440869
2-amino-N,N-dihexyl-2-methylpropanamide
CID 61265821
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
2-methoxy-2-methyl-N,N-dipentylpropanamide
CID 103028912
N,N,N',N'-tetrahexyloxamide
CID 6424911
3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 113307587
2-(didodecylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
CID 164590098
hexyl(octadecyl)carbamic acid
CID 87702094
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(icosyl)acetamide
CID 57063838
N,N-di(pentadecyl)acetamide
CID 174726671
N',N',2,2-tetraoctylpropanediamide
CID 146620373

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,N-di(nonyl)propanamide?
The IUPAC name of 2,2-dimethyl-N,N-di(nonyl)propanamide (CID 532840) is 2,2-dimethyl-N,N-di(nonyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N,N-di(nonyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N,N-di(nonyl)propanamide is CCCCCCCCCN(CCCCCCCCC)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N,N-di(nonyl)propanamide?
The InChIKey is AFOUBMTWWBTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO/c1-6-8-10-12-14-16-18-20-24(22(25)23(3,4)5)21-19-17-15-13-11-9-7-2/h6-21H2,1-5H3.
What are the key properties of 2,2-dimethyl-N,N-di(nonyl)propanamide?
2,2-dimethyl-N,N-di(nonyl)propanamide has a molecular weight of 353.64 g/mol, XLogP of 7.36, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,N-di(nonyl)propanamide is sourced from PubChem (CID 532840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).