N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide

C21H43NO — CID 15894971

IUPACN,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)(C)C
InChIInChI=1S/C21H43NO/c1-8-12-14-18(10-3)16-22(20(23)21(5,6)7)17-19(11-4)15-13-9-2/h18-19H,8-17H2,1-7H3
InChIKeyODFOPGYFSLHCQS-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.29
Rot. Bonds12

About N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide

N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide (PubChem CID 15894971) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide
PubChem CID15894971
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC NameN,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)(C)C
InChIInChI=1S/C21H43NO/c1-8-12-14-18(10-3)16-22(20(23)21(5,6)7)17-19(11-4)15-13-9-2/h18-19H,8-17H2,1-7H3
InChIKeyODFOPGYFSLHCQS-UHFFFAOYSA-N
XLogP6.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide (CID 15894971) is N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)(C)C.
What is the InChIKey of N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide?
The InChIKey is ODFOPGYFSLHCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-8-12-14-18(10-3)16-22(20(23)21(5,6)7)17-19(11-4)15-13-9-2/h18-19H,8-17H2,1-7H3.
What are the key properties of N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide?
N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide has a molecular weight of 325.58 g/mol, XLogP of 6.29, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 15894971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).