2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide

C11H18N2O — CID 143179325

IUPAC2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide
SMILESC=C/C(C)=C\C/C=C(\C)NCC(N)=O
InChIInChI=1S/C11H18N2O/c1-4-9(2)6-5-7-10(3)13-8-11(12)14/h4,6-7,13H,1,5,8H2,2-3H3,(H2,12,14)/b9-6-,10-7+
InChIKeyWBLABIRGVDHGDH-PCCLLEMOSA-N
MW194.28 g/mol
LogP1.49
Rot. Bonds6

About 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide

2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide (PubChem CID 143179325) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide
PubChem CID143179325
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide
SMILESC=C/C(C)=C\C/C=C(\C)NCC(N)=O
InChIInChI=1S/C11H18N2O/c1-4-9(2)6-5-7-10(3)13-8-11(12)14/h4,6-7,13H,1,5,8H2,2-3H3,(H2,12,14)/b9-6-,10-7+
InChIKeyWBLABIRGVDHGDH-PCCLLEMOSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide?
The IUPAC name of 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide (CID 143179325) is 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide?
The canonical SMILES for 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide is C=C/C(C)=C\C/C=C(\C)NCC(N)=O.
What is the InChIKey of 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide?
The InChIKey is WBLABIRGVDHGDH-PCCLLEMOSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-9(2)6-5-7-10(3)13-8-11(12)14/h4,6-7,13H,1,5,8H2,2-3H3,(H2,12,14)/b9-6-,10-7+.
What are the key properties of 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide?
2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide has a molecular weight of 194.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide is sourced from PubChem (CID 143179325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).