1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea

C23H40N2O — CID 14834766

IUPAC1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)N(C)C
InChIInChI=1S/C23H40N2O/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-18-24-23(26)25(6)7/h11,13,15,17H,8-10,12,14,16,18H2,1-7H3,(H,24,26)/b20-13+,21-15+,22-17+
InChIKeyYPZYQCIDHKJSFS-NJFMWZAGSA-N
MW360.59 g/mol
LogP6.40
Rot. Bonds11

About 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea

1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea (PubChem CID 14834766) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
PubChem CID14834766
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC Name1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)N(C)C
InChIInChI=1S/C23H40N2O/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-18-24-23(26)25(6)7/h11,13,15,17H,8-10,12,14,16,18H2,1-7H3,(H,24,26)/b20-13+,21-15+,22-17+
InChIKeyYPZYQCIDHKJSFS-NJFMWZAGSA-N
XLogP6.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea (CID 14834766) is 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea?
The InChIKey is YPZYQCIDHKJSFS-NJFMWZAGSA-N. The full InChI is InChI=1S/C23H40N2O/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-18-24-23(26)25(6)7/h11,13,15,17H,8-10,12,14,16,18H2,1-7H3,(H,24,26)/b20-13+,21-15+,22-17+.
What are the key properties of 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea?
1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea has a molecular weight of 360.59 g/mol, XLogP of 6.40, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea is sourced from PubChem (CID 14834766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).