ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide

C16H31NO3 — CID 142988139

IUPACethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide
SMILESC/C=C\C(=C(/C)OC)C(CCC)NC(=O)COC.CC
InChIInChI=1S/C14H25NO3.C2H6/c1-6-8-12(11(3)18-5)13(9-7-2)15-14(16)10-17-4;1-2/h6,8,13H,7,9-10H2,1-5H3,(H,15,16);1-2H3/b8-6-,12-11-;
InChIKeyJEASYARSETYVOQ-KBHCPCLCSA-N
MW285.43 g/mol
LogP3.44
Rot. Bonds8

About ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide

ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide (PubChem CID 142988139) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide.

Molecular Properties

Compound Nameethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide
PubChem CID142988139
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide
SMILESC/C=C\C(=C(/C)OC)C(CCC)NC(=O)COC.CC
InChIInChI=1S/C14H25NO3.C2H6/c1-6-8-12(11(3)18-5)13(9-7-2)15-14(16)10-17-4;1-2/h6,8,13H,7,9-10H2,1-5H3,(H,15,16);1-2H3/b8-6-,12-11-;
InChIKeyJEASYARSETYVOQ-KBHCPCLCSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide?
The IUPAC name of ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide (CID 142988139) is ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide.
What is the SMILES notation for ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide?
The canonical SMILES for ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide is C/C=C\C(=C(/C)OC)C(CCC)NC(=O)COC.CC.
What is the InChIKey of ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide?
The InChIKey is JEASYARSETYVOQ-KBHCPCLCSA-N. The full InChI is InChI=1S/C14H25NO3.C2H6/c1-6-8-12(11(3)18-5)13(9-7-2)15-14(16)10-17-4;1-2/h6,8,13H,7,9-10H2,1-5H3,(H,15,16);1-2H3/b8-6-,12-11-;.
What are the key properties of ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide?
ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide has a molecular weight of 285.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-N-[(Z,5Z)-5-(1-methoxyethylidene)oct-6-en-4-yl]acetamide is sourced from PubChem (CID 142988139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).