N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

C24H43NO3 — CID 57106302

IUPACN,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)N(C(C)O)C(C)O
InChIInChI=1S/C24H43NO3/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/h11,13,15,21-23,26-27H,8-10,12,14,16-17H2,1-7H3
InChIKeyHAUJXQLAHWYUSV-UHFFFAOYSA-N
MW393.61 g/mol
LogP5.72
Rot. Bonds13

About N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (PubChem CID 57106302) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.

Molecular Properties

Compound NameN,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
PubChem CID57106302
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC NameN,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CC(=O)N(C(C)O)C(C)O
InChIInChI=1S/C24H43NO3/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/h11,13,15,21-23,26-27H,8-10,12,14,16-17H2,1-7H3
InChIKeyHAUJXQLAHWYUSV-UHFFFAOYSA-N
XLogP5.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-tetramethylhexadeca-6,10,14-trienamide?
The IUPAC name of N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (CID 57106302) is N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.
What is the SMILES notation for N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The canonical SMILES for N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide 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-tetramethylhexadeca-6,10,14-trienamide?
The InChIKey is HAUJXQLAHWYUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO3/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/h11,13,15,21-23,26-27H,8-10,12,14,16-17H2,1-7H3.
What are the key properties of N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide has a molecular weight of 393.61 g/mol, XLogP of 5.72, 13 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-tetramethylhexadeca-6,10,14-trienamide is sourced from PubChem (CID 57106302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).