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

C28H59ClN2O — CID 21297893

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)NCCN(C(C)C)C(C)C.Cl
InChIInChI=1S/C28H58N2O.ClH/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);1H
InChIKeyGRBUTUVJBBWQKB-UHFFFAOYSA-N
MW475.25 g/mol
LogP8.11
Rot. Bonds19

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

N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride (PubChem CID 21297893) has the molecular formula C28H59ClN2O and a molecular weight of 475.25 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride
PubChem CID21297893
Molecular FormulaC28H59ClN2O
Molecular Weight475.25 g/mol
Exact Mass474.43
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)NCCN(C(C)C)C(C)C.Cl
InChIInChI=1S/C28H58N2O.ClH/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);1H
InChIKeyGRBUTUVJBBWQKB-UHFFFAOYSA-N
XLogP8.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.25
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride (CID 21297893) is N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)NCCN(C(C)C)C(C)C.Cl.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride?
The InChIKey is GRBUTUVJBBWQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N2O.ClH/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);1H.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride?
N-[2-[di(propan-2-yl)amino]ethyl]-3,7,11,15-tetramethylhexadecanamide;hydrochloride has a molecular weight of 475.25 g/mol, XLogP of 8.11, 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;hydrochloride is sourced from PubChem (CID 21297893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).