N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide

C28H58N2O — CID 21297894

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C28H58N2O/c1-22(2)13-10-14-25(7)15-11-16-26(8)17-12-18-27(9)21-28(31)29-19-20-30(23(3)4)24(5)6/h22-27H,10-21H2,1-9H3,(H,29,31)
InChIKeyRLLUMCRUJFCDNH-UHFFFAOYSA-N
MW438.79 g/mol
LogP7.69
Rot. Bonds19

About N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide

N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide (PubChem CID 21297894) has the molecular formula C28H58N2O and a molecular weight of 438.79 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide
PubChem CID21297894
Molecular FormulaC28H58N2O
Molecular Weight438.79 g/mol
Exact Mass438.45
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C28H58N2O/c1-22(2)13-10-14-25(7)15-11-16-26(8)17-12-18-27(9)21-28(31)29-19-20-30(23(3)4)24(5)6/h22-27H,10-21H2,1-9H3,(H,29,31)
InChIKeyRLLUMCRUJFCDNH-UHFFFAOYSA-N
XLogP7.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.79
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N'-1,2-propanediyldicyclohexanecarboxamide
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(2S)-2,6-diamino-N-tetradecylhexanamide
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Menthol lactam
CID 12349329

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide (CID 21297894) is N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide?
The InChIKey is RLLUMCRUJFCDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N2O/c1-22(2)13-10-14-25(7)15-11-16-26(8)17-12-18-27(9)21-28(31)29-19-20-30(23(3)4)24(5)6/h22-27H,10-21H2,1-9H3,(H,29,31).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide?
N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide has a molecular weight of 438.79 g/mol, XLogP of 7.69, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide is sourced from PubChem (CID 21297894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).