N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide

C24H37N3O — CID 14834801

IUPACN-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)n1ccnc1
InChIInChI=1S/C24H37N3O/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-26-24(28)27-18-17-25-19-27/h9,11,13,15,17-19H,6-8,10,12,14,16H2,1-5H3,(H,26,28)/b21-11+,22-13+,23-15+
InChIKeyQSUAUFJTUQIEER-FPFQZNTGSA-N
MW383.58 g/mol
LogP6.59
Rot. Bonds11

About N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide

N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide (PubChem CID 14834801) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide
PubChem CID14834801
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)n1ccnc1
InChIInChI=1S/C24H37N3O/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-26-24(28)27-18-17-25-19-27/h9,11,13,15,17-19H,6-8,10,12,14,16H2,1-5H3,(H,26,28)/b21-11+,22-13+,23-15+
InChIKeyQSUAUFJTUQIEER-FPFQZNTGSA-N
XLogP6.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide?
The IUPAC name of N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide (CID 14834801) is N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)n1ccnc1.
What is the InChIKey of N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide?
The InChIKey is QSUAUFJTUQIEER-FPFQZNTGSA-N. The full InChI is InChI=1S/C24H37N3O/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-26-24(28)27-18-17-25-19-27/h9,11,13,15,17-19H,6-8,10,12,14,16H2,1-5H3,(H,26,28)/b21-11+,22-13+,23-15+.
What are the key properties of N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide?
N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide has a molecular weight of 383.58 g/mol, XLogP of 6.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazole-1-carboxamide is sourced from PubChem (CID 14834801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).