1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea

C28H43N3O — CID 22154336

IUPAC1-(1-pyridin-4-ylethyl)-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)NC(C)c1ccncc1
InChIInChI=1S/C28H43N3O/c1-22(2)10-7-11-23(3)12-8-13-24(4)14-9-15-25(5)16-21-30-28(32)31-26(6)27-17-19-29-20-18-27/h10,12,14,16-20,26H,7-9,11,13,15,21H2,1-6H3,(H2,30,31,32)/b23-12+,24-14+,25-16+
InChIKeyUFFAXGGHWDABSV-JZQMSYLWSA-N
MW437.67 g/mol
LogP7.59
Rot. Bonds13

About 1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea

1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea (PubChem CID 22154336) has the molecular formula C28H43N3O and a molecular weight of 437.67 g/mol. Its IUPAC name is 1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea.

Molecular Properties

Compound Name1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea
PubChem CID22154336
Molecular FormulaC28H43N3O
Molecular Weight437.67 g/mol
Exact Mass437.34
IUPAC Name1-(1-pyridin-4-ylethyl)-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)NC(C)c1ccncc1
InChIInChI=1S/C28H43N3O/c1-22(2)10-7-11-23(3)12-8-13-24(4)14-9-15-25(5)16-21-30-28(32)31-26(6)27-17-19-29-20-18-27/h10,12,14,16-20,26H,7-9,11,13,15,21H2,1-6H3,(H2,30,31,32)/b23-12+,24-14+,25-16+
InChIKeyUFFAXGGHWDABSV-JZQMSYLWSA-N
XLogP7.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
CID 14834790
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 61198838
N,N-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyridine-4-carboxamide
CID 14834824
1-(2,2-dimethylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 110748297
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
3-[(1-pyridin-4-ylethylcarbamoylamino)methyl]pentanoic acid
CID 81069615
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95152555
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea?
The IUPAC name of 1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea (CID 22154336) is 1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea.
What is the SMILES notation for 1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea?
The canonical SMILES for 1-(1-pyridin-4-ylethyl)-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)NC(C)c1ccncc1.
What is the InChIKey of 1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea?
The InChIKey is UFFAXGGHWDABSV-JZQMSYLWSA-N. The full InChI is InChI=1S/C28H43N3O/c1-22(2)10-7-11-23(3)12-8-13-24(4)14-9-15-25(5)16-21-30-28(32)31-26(6)27-17-19-29-20-18-27/h10,12,14,16-20,26H,7-9,11,13,15,21H2,1-6H3,(H2,30,31,32)/b23-12+,24-14+,25-16+.
What are the key properties of 1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea?
1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea has a molecular weight of 437.67 g/mol, XLogP of 7.59, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-4-ylethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]urea is sourced from PubChem (CID 22154336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).