ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane

C27H51NO2 — CID 143912649

IUPACethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane
SMILESC=C/C=C/C(C)=C/C=C/C.C=CCC/C(=C\C)C(=O)NCCO.CC.CC.CCC
InChIInChI=1S/C10H17NO2.C10H14.C3H8.2C2H6/c1-3-5-6-9(4-2)10(13)11-7-8-12;1-4-6-8-10(3)9-7-5-2;1-3-2;2*1-2/h3-4,12H,1,5-8H2,2H3,(H,11,13);4-9H,1H2,2-3H3;3H2,1-2H3;2*1-2H3/b9-4+;7-5+,8-6+,10-9+;;;
InChIKeyCKOYCNUYGUOZTG-YDYDZYPLSA-N
MW421.71 g/mol
LogP7.73
Rot. Bonds9

About ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane

ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane (PubChem CID 143912649) has the molecular formula C27H51NO2 and a molecular weight of 421.71 g/mol. Its IUPAC name is ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane.

Molecular Properties

Compound Nameethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane
PubChem CID143912649
Molecular FormulaC27H51NO2
Molecular Weight421.71 g/mol
Exact Mass421.39
IUPAC Nameethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane
SMILESC=C/C=C/C(C)=C/C=C/C.C=CCC/C(=C\C)C(=O)NCCO.CC.CC.CCC
InChIInChI=1S/C10H17NO2.C10H14.C3H8.2C2H6/c1-3-5-6-9(4-2)10(13)11-7-8-12;1-4-6-8-10(3)9-7-5-2;1-3-2;2*1-2/h3-4,12H,1,5-8H2,2H3,(H,11,13);4-9H,1H2,2-3H3;3H2,1-2H3;2*1-2H3/b9-4+;7-5+,8-6+,10-9+;;;
InChIKeyCKOYCNUYGUOZTG-YDYDZYPLSA-N
XLogP7.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Anandamide
CID 5281969
(5Z,8Z,11Z,14Z,17Z)-icosapentaenoylethanolamine
CID 5283450
(5E,8E,11E,14E)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
CID 5353408
Semiplenamide A
CID 10384247
alpha-Methyl anandamide
CID 5283455
N-(5Z,8Z,11Z,14Z-heneicosatetraenoyl)-ethanolamine
CID 5283459
(5E,8Z,11Z,14Z,17E)-N-(2-hydroxyethyl)icosa-5,8,11,14,17-pentaenamide
CID 44373478
(5Z,8Z,11Z,13S,14Z)-N-(2-hydroxyethyl)-13-methylicosa-5,8,11,14-tetraenamide
CID 46210310
(5Z,7S,8Z,11Z,14Z)-N-(2-hydroxyethyl)-7-methylicosa-5,8,11,14-tetraenamide
CID 145977936
(5Z,7R,8Z,11Z,14Z)-N-(2-hydroxyethyl)-7-methylicosa-5,8,11,14-tetraenamide
CID 145978417
N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
CID 5283445
N-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-ethanolamine
CID 5283448

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane?
The IUPAC name of ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane (CID 143912649) is ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane.
What is the SMILES notation for ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane?
The canonical SMILES for ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane is C=C/C=C/C(C)=C/C=C/C.C=CCC/C(=C\C)C(=O)NCCO.CC.CC.CCC.
What is the InChIKey of ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane?
The InChIKey is CKOYCNUYGUOZTG-YDYDZYPLSA-N. The full InChI is InChI=1S/C10H17NO2.C10H14.C3H8.2C2H6/c1-3-5-6-9(4-2)10(13)11-7-8-12;1-4-6-8-10(3)9-7-5-2;1-3-2;2*1-2/h3-4,12H,1,5-8H2,2H3,(H,11,13);4-9H,1H2,2-3H3;3H2,1-2H3;2*1-2H3/b9-4+;7-5+,8-6+,10-9+;;;.
What are the key properties of ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane?
ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane has a molecular weight of 421.71 g/mol, XLogP of 7.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane is sourced from PubChem (CID 143912649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).