N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide

C14H24N2O2 — CID 126583576

IUPACN-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide
SMILESC/C=C\C/C=C\NC/C=C/CNC(=O)C(C)OC
InChIInChI=1S/C14H24N2O2/c1-4-5-6-7-10-15-11-8-9-12-16-14(17)13(2)18-3/h4-5,7-10,13,15H,6,11-12H2,1-3H3,(H,16,17)/b5-4-,9-8+,10-7-
InChIKeyYZBDIBPKDRWESX-CDHTUGOUSA-N
MW252.36 g/mol
LogP1.76
Rot. Bonds9

About N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide

N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide (PubChem CID 126583576) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide
PubChem CID126583576
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide
SMILESC/C=C\C/C=C\NC/C=C/CNC(=O)C(C)OC
InChIInChI=1S/C14H24N2O2/c1-4-5-6-7-10-15-11-8-9-12-16-14(17)13(2)18-3/h4-5,7-10,13,15H,6,11-12H2,1-3H3,(H,16,17)/b5-4-,9-8+,10-7-
InChIKeyYZBDIBPKDRWESX-CDHTUGOUSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide?
The IUPAC name of N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide (CID 126583576) is N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide.
What is the SMILES notation for N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide?
The canonical SMILES for N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide is C/C=C\C/C=C\NC/C=C/CNC(=O)C(C)OC.
What is the InChIKey of N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide?
The InChIKey is YZBDIBPKDRWESX-CDHTUGOUSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-6-7-10-15-11-8-9-12-16-14(17)13(2)18-3/h4-5,7-10,13,15H,6,11-12H2,1-3H3,(H,16,17)/b5-4-,9-8+,10-7-.
What are the key properties of N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide?
N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-[[(1Z,4Z)-hexa-1,4-dienyl]amino]but-2-enyl]-2-methoxypropanamide is sourced from PubChem (CID 126583576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).