ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide

C17H33NO2 — CID 142894613

IUPACethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide
SMILESCC.CC/C=C(\C=C/CCC(=O)NCC)COC(C)C
InChIInChI=1S/C15H27NO2.C2H6/c1-5-9-14(12-18-13(3)4)10-7-8-11-15(17)16-6-2;1-2/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,16,17);1-2H3/b10-7-,14-9+;
InChIKeyDQDALLFNUBYLQE-RGMJMOJASA-N
MW283.46 g/mol
LogP4.25
Rot. Bonds9

About ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide

ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide (PubChem CID 142894613) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide.

Molecular Properties

Compound Nameethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide
PubChem CID142894613
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide
SMILESCC.CC/C=C(\C=C/CCC(=O)NCC)COC(C)C
InChIInChI=1S/C15H27NO2.C2H6/c1-5-9-14(12-18-13(3)4)10-7-8-11-15(17)16-6-2;1-2/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,16,17);1-2H3/b10-7-,14-9+;
InChIKeyDQDALLFNUBYLQE-RGMJMOJASA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-5-ethoxy-7-methylidene-1,2,8,9-tetrahydroazecin-10-one
CID 89591584
N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
CID 91252463
N-[(4Z,6E)-7-butoxy-8-methoxy-3-methylideneocta-4,6-dienyl]acetamide
CID 117906275
(4Z,7Z,10Z,14E)-N-(2-hydroxyethyl)-13-methyl-16-[(Z)-pent-2-enoxy]heptadeca-4,7,10,14-tetraenamide
CID 137551100
N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
CID 142103653
ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
CID 142103663
N-(cyclopropylmethyl)propanamide;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane
CID 142413028
ethane;(3Z,6E)-6-(methoxymethyl)-3-methylocta-1,3,6-triene;pyrrolidin-2-one
CID 143093513
N-[2-(6-methoxy-6H-benzo[7]annulen-4-yl)ethyl]acetamide
CID 144251328
N-(3-aminopropyl)acetamide;ethane;(4Z)-3-ethoxy-2-methylhexa-2,4-diene;(Z)-4-methylidenehex-2-ene
CID 144402232
(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
CID 144515567
(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide
CID 147348593

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide?
The IUPAC name of ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide (CID 142894613) is ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide.
What is the SMILES notation for ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide?
The canonical SMILES for ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide is CC.CC/C=C(\C=C/CCC(=O)NCC)COC(C)C.
What is the InChIKey of ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide?
The InChIKey is DQDALLFNUBYLQE-RGMJMOJASA-N. The full InChI is InChI=1S/C15H27NO2.C2H6/c1-5-9-14(12-18-13(3)4)10-7-8-11-15(17)16-6-2;1-2/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,16,17);1-2H3/b10-7-,14-9+;.
What are the key properties of ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide?
ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide has a molecular weight of 283.46 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide is sourced from PubChem (CID 142894613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).