N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide

C24H44N4O — CID 130370937

IUPACN-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide
SMILESC=CN(CCNC(/C=C\C(CC)C(=C)NCCN(CC)CC)=C/C)C(=O)CCC
InChIInChI=1S/C24H44N4O/c1-8-14-24(29)28(13-6)20-18-26-23(10-3)16-15-22(9-2)21(7)25-17-19-27(11-4)12-5/h10,13,15-16,22,25-26H,6-9,11-12,14,17-20H2,1-5H3/b16-15-,23-10+
InChIKeyXZNVDPIFSIEQQM-NDFPGGMFSA-N
MW404.64 g/mol
LogP4.28
Rot. Bonds17

About N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide

N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide (PubChem CID 130370937) has the molecular formula C24H44N4O and a molecular weight of 404.64 g/mol. Its IUPAC name is N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide.

Molecular Properties

Compound NameN-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide
PubChem CID130370937
Molecular FormulaC24H44N4O
Molecular Weight404.64 g/mol
Exact Mass404.35
IUPAC NameN-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide
SMILESC=CN(CCNC(/C=C\C(CC)C(=C)NCCN(CC)CC)=C/C)C(=O)CCC
InChIInChI=1S/C24H44N4O/c1-8-14-24(29)28(13-6)20-18-26-23(10-3)16-15-22(9-2)21(7)25-17-19-27(11-4)12-5/h10,13,15-16,22,25-26H,6-9,11-12,14,17-20H2,1-5H3/b16-15-,23-10+
InChIKeyXZNVDPIFSIEQQM-NDFPGGMFSA-N
XLogP4.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide?
The IUPAC name of N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide (CID 130370937) is N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide.
What is the SMILES notation for N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide?
The canonical SMILES for N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide is C=CN(CCNC(/C=C\C(CC)C(=C)NCCN(CC)CC)=C/C)C(=O)CCC.
What is the InChIKey of N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide?
The InChIKey is XZNVDPIFSIEQQM-NDFPGGMFSA-N. The full InChI is InChI=1S/C24H44N4O/c1-8-14-24(29)28(13-6)20-18-26-23(10-3)16-15-22(9-2)21(7)25-17-19-27(11-4)12-5/h10,13,15-16,22,25-26H,6-9,11-12,14,17-20H2,1-5H3/b16-15-,23-10+.
What are the key properties of N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide?
N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide has a molecular weight of 404.64 g/mol, XLogP of 4.28, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2E,4Z)-7-[2-(diethylamino)ethylamino]-6-ethylocta-2,4,7-trien-3-yl]amino]ethyl]-N-ethenylbutanamide is sourced from PubChem (CID 130370937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).