N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide

C24H49NO3 — CID 57212086

IUPACN,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N(C(C)O)C(C)O
InChIInChI=1S/C24H49NO3/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)17-24(28)25(22(6)26)23(7)27/h18-23,26-27H,8-17H2,1-7H3
InChIKeyAGGOTSCRRYCBED-UHFFFAOYSA-N
MW399.66 g/mol
LogP5.96
Rot. Bonds16

About N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide

N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide (PubChem CID 57212086) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide.

Molecular Properties

Compound NameN,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide
PubChem CID57212086
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC NameN,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N(C(C)O)C(C)O
InChIInChI=1S/C24H49NO3/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)17-24(28)25(22(6)26)23(7)27/h18-23,26-27H,8-17H2,1-7H3
InChIKeyAGGOTSCRRYCBED-UHFFFAOYSA-N
XLogP5.96
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide?
The IUPAC name of N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide (CID 57212086) is N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide.
What is the SMILES notation for N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide?
The canonical SMILES for N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N(C(C)O)C(C)O.
What is the InChIKey of N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide?
The InChIKey is AGGOTSCRRYCBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO3/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)17-24(28)25(22(6)26)23(7)27/h18-23,26-27H,8-17H2,1-7H3.
What are the key properties of N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide?
N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide has a molecular weight of 399.66 g/mol, XLogP of 5.96, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide is sourced from PubChem (CID 57212086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).