N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane

C18H33NO3 — CID 144515549

IUPACN-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane
SMILESC=CCCNC(=O)COC/C(C)=C\CCC(C=C)OC.CC
InChIInChI=1S/C16H27NO3.C2H6/c1-5-7-11-17-16(18)13-20-12-14(3)9-8-10-15(6-2)19-4;1-2/h5-6,9,15H,1-2,7-8,10-13H2,3-4H3,(H,17,18);1-2H3/b14-9-;
InChIKeyPPLVRSFCBYJQGQ-WQRRWHLMSA-N
MW311.47 g/mol
LogP3.65
Rot. Bonds12

About N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane

N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane (PubChem CID 144515549) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane.

Molecular Properties

Compound NameN-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane
PubChem CID144515549
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC NameN-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane
SMILESC=CCCNC(=O)COC/C(C)=C\CCC(C=C)OC.CC
InChIInChI=1S/C16H27NO3.C2H6/c1-5-7-11-17-16(18)13-20-12-14(3)9-8-10-15(6-2)19-4;1-2/h5-6,9,15H,1-2,7-8,10-13H2,3-4H3,(H,17,18);1-2H3/b14-9-;
InChIKeyPPLVRSFCBYJQGQ-WQRRWHLMSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane?
The IUPAC name of N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane (CID 144515549) is N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane.
What is the SMILES notation for N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane?
The canonical SMILES for N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane is C=CCCNC(=O)COC/C(C)=C\CCC(C=C)OC.CC.
What is the InChIKey of N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane?
The InChIKey is PPLVRSFCBYJQGQ-WQRRWHLMSA-N. The full InChI is InChI=1S/C16H27NO3.C2H6/c1-5-7-11-17-16(18)13-20-12-14(3)9-8-10-15(6-2)19-4;1-2/h5-6,9,15H,1-2,7-8,10-13H2,3-4H3,(H,17,18);1-2H3/b14-9-;.
What are the key properties of N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane?
N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane has a molecular weight of 311.47 g/mol, XLogP of 3.65, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane is sourced from PubChem (CID 144515549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).