N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide

C26H37NO2 — CID 70684787

IUPACN-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide
SMILESC=CCc1cc(NC(C)=O)ccc1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C26H37NO2/c1-7-10-24-19-25(27-23(6)28)15-16-26(24)29-18-17-22(5)14-9-13-21(4)12-8-11-20(2)3/h7,11,13,15-17,19H,1,8-10,12,14,18H2,2-6H3,(H,27,28)/b21-13+,22-17+
InChIKeyIXYOQOMIUFMLJQ-BRAPJGFWSA-N
MW395.59 g/mol
LogP7.17
Rot. Bonds12

About N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide

N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide (PubChem CID 70684787) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide
PubChem CID70684787
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC NameN-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide
SMILESC=CCc1cc(NC(C)=O)ccc1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C26H37NO2/c1-7-10-24-19-25(27-23(6)28)15-16-26(24)29-18-17-22(5)14-9-13-21(4)12-8-11-20(2)3/h7,11,13,15-17,19H,1,8-10,12,14,18H2,2-6H3,(H,27,28)/b21-13+,22-17+
InChIKeyIXYOQOMIUFMLJQ-BRAPJGFWSA-N
XLogP7.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide?
The IUPAC name of N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide (CID 70684787) is N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide?
The canonical SMILES for N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide is C=CCc1cc(NC(C)=O)ccc1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide?
The InChIKey is IXYOQOMIUFMLJQ-BRAPJGFWSA-N. The full InChI is InChI=1S/C26H37NO2/c1-7-10-24-19-25(27-23(6)28)15-16-26(24)29-18-17-22(5)14-9-13-21(4)12-8-11-20(2)3/h7,11,13,15-17,19H,1,8-10,12,14,18H2,2-6H3,(H,27,28)/b21-13+,22-17+.
What are the key properties of N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide?
N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide has a molecular weight of 395.59 g/mol, XLogP of 7.17, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide is sourced from PubChem (CID 70684787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).