cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide

C19H37NO3 — CID 176970861

IUPACcyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide
SMILESC1CCC1.CCC(CC/C=C/C(=O)N(C)OC)COC(C)(C)C
InChIInChI=1S/C15H29NO3.C4H8/c1-7-13(12-19-15(2,3)4)10-8-9-11-14(17)16(5)18-6;1-2-4-3-1/h9,11,13H,7-8,10,12H2,1-6H3;1-4H2/b11-9+;
InChIKeyINGYARCDTYUDRD-LBEJWNQZSA-N
MW327.51 g/mol
LogP4.74
Rot. Bonds8

About cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide

cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide (PubChem CID 176970861) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide.

Molecular Properties

Compound Namecyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide
PubChem CID176970861
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Namecyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide
SMILESC1CCC1.CCC(CC/C=C/C(=O)N(C)OC)COC(C)(C)C
InChIInChI=1S/C15H29NO3.C4H8/c1-7-13(12-19-15(2,3)4)10-8-9-11-14(17)16(5)18-6;1-2-4-3-1/h9,11,13H,7-8,10,12H2,1-6H3;1-4H2/b11-9+;
InChIKeyINGYARCDTYUDRD-LBEJWNQZSA-N
XLogP4.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide?
The IUPAC name of cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide (CID 176970861) is cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide.
What is the SMILES notation for cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide?
The canonical SMILES for cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide is C1CCC1.CCC(CC/C=C/C(=O)N(C)OC)COC(C)(C)C.
What is the InChIKey of cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide?
The InChIKey is INGYARCDTYUDRD-LBEJWNQZSA-N. The full InChI is InChI=1S/C15H29NO3.C4H8/c1-7-13(12-19-15(2,3)4)10-8-9-11-14(17)16(5)18-6;1-2-4-3-1/h9,11,13H,7-8,10,12H2,1-6H3;1-4H2/b11-9+;.
What are the key properties of cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide?
cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide has a molecular weight of 327.51 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide is sourced from PubChem (CID 176970861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).