ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide

C17H34N2O — CID 178083110

IUPACethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide
SMILESC=C/C=C\C(=C/C)NC(=O)C(CCC)NC.CC.CC
InChIInChI=1S/C13H22N2O.2C2H6/c1-5-8-10-11(7-3)15-13(16)12(14-4)9-6-2;2*1-2/h5,7-8,10,12,14H,1,6,9H2,2-4H3,(H,15,16);2*1-2H3/b10-8-,11-7+;;
InChIKeyQXIREMJRPSIWSG-IMVFXIOZSA-N
MW282.47 g/mol
LogP4.19
Rot. Bonds7

About ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide

ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide (PubChem CID 178083110) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide.

Molecular Properties

Compound Nameethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide
PubChem CID178083110
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Nameethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide
SMILESC=C/C=C\C(=C/C)NC(=O)C(CCC)NC.CC.CC
InChIInChI=1S/C13H22N2O.2C2H6/c1-5-8-10-11(7-3)15-13(16)12(14-4)9-6-2;2*1-2/h5,7-8,10,12,14H,1,6,9H2,2-4H3,(H,15,16);2*1-2H3/b10-8-,11-7+;;
InChIKeyQXIREMJRPSIWSG-IMVFXIOZSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]pyrrolidine-2-carboxamide
CID 143541698
2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide
CID 177355208
N-buta-1,3-dien-2-yl-2-(methylamino)-4-oxopentanamide
CID 88880435
5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide
CID 89215079
(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide
CID 89347279
(2S)-5-amino-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-N-[(2E)-penta-2,4-dien-2-yl]pentanamide
CID 134271019
(2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide
CID 134355532
(2R)-2-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-methylamino]pentanamide
CID 141953519
4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one;ethanol;propane
CID 143717877
2-butan-2-yl-5,6-bis(ethenyl)-2,4-dihydro-1H-pyrazin-3-one
CID 144101490
(2R)-2-butan-2-yl-5,6-bis(ethenyl)-2,4-dihydro-1H-pyrazin-3-one
CID 144101589
2-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbutanamide;ethane
CID 144112791

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide?
The IUPAC name of ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide (CID 178083110) is ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide.
What is the SMILES notation for ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide?
The canonical SMILES for ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide is C=C/C=C\C(=C/C)NC(=O)C(CCC)NC.CC.CC.
What is the InChIKey of ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide?
The InChIKey is QXIREMJRPSIWSG-IMVFXIOZSA-N. The full InChI is InChI=1S/C13H22N2O.2C2H6/c1-5-8-10-11(7-3)15-13(16)12(14-4)9-6-2;2*1-2/h5,7-8,10,12,14H,1,6,9H2,2-4H3,(H,15,16);2*1-2H3/b10-8-,11-7+;;.
What are the key properties of ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide?
ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide has a molecular weight of 282.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide is sourced from PubChem (CID 178083110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).