4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide

C18H26N2O — CID 10039652

IUPAC4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide
SMILESCC(C)=C(C)CC/C(C)=C/Cc1cc(C(N)=O)ccc1N
InChIInChI=1S/C18H26N2O/c1-12(2)14(4)7-5-13(3)6-8-15-11-16(18(20)21)9-10-17(15)19/h6,9-11H,5,7-8,19H2,1-4H3,(H2,20,21)/b13-6+
InChIKeyAMVJJFBYMZKZRU-AWNIVKPZSA-N
MW286.42 g/mol
LogP3.99
Rot. Bonds6

About 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide

4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide (PubChem CID 10039652) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide.

Molecular Properties

Compound Name4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide
PubChem CID10039652
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide
SMILESCC(C)=C(C)CC/C(C)=C/Cc1cc(C(N)=O)ccc1N
InChIInChI=1S/C18H26N2O/c1-12(2)14(4)7-5-13(3)6-8-15-11-16(18(20)21)9-10-17(15)19/h6,9-11H,5,7-8,19H2,1-4H3,(H2,20,21)/b13-6+
InChIKeyAMVJJFBYMZKZRU-AWNIVKPZSA-N
XLogP3.99
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide?
The IUPAC name of 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide (CID 10039652) is 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide.
What is the SMILES notation for 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide?
The canonical SMILES for 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide is CC(C)=C(C)CC/C(C)=C/Cc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide?
The InChIKey is AMVJJFBYMZKZRU-AWNIVKPZSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)14(4)7-5-13(3)6-8-15-11-16(18(20)21)9-10-17(15)19/h6,9-11H,5,7-8,19H2,1-4H3,(H2,20,21)/b13-6+.
What are the key properties of 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide?
4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide has a molecular weight of 286.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzamide is sourced from PubChem (CID 10039652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).