(2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide

C17H29NO2 — CID 135190435

IUPAC(2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide
SMILESC=C(C)CCCCC(C)/C(=C\C=C/C)C(=O)N(C)OC
InChIInChI=1S/C17H29NO2/c1-7-8-13-16(17(19)18(5)20-6)15(4)12-10-9-11-14(2)3/h7-8,13,15H,2,9-12H2,1,3-6H3/b8-7-,16-13+
InChIKeyDGXAJWKVYHYMTJ-AKLMFZFWSA-N
MW279.42 g/mol
LogP4.28
Rot. Bonds9

About (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide

(2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide (PubChem CID 135190435) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide
PubChem CID135190435
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide
SMILESC=C(C)CCCCC(C)/C(=C\C=C/C)C(=O)N(C)OC
InChIInChI=1S/C17H29NO2/c1-7-8-13-16(17(19)18(5)20-6)15(4)12-10-9-11-14(2)3/h7-8,13,15H,2,9-12H2,1,3-6H3/b8-7-,16-13+
InChIKeyDGXAJWKVYHYMTJ-AKLMFZFWSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide (CID 135190435) is (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide is C=C(C)CCCCC(C)/C(=C\C=C/C)C(=O)N(C)OC.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide?
The InChIKey is DGXAJWKVYHYMTJ-AKLMFZFWSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-8-13-16(17(19)18(5)20-6)15(4)12-10-9-11-14(2)3/h7-8,13,15H,2,9-12H2,1,3-6H3/b8-7-,16-13+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide?
(2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide has a molecular weight of 279.42 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-N-methoxy-N,3,8-trimethylnon-8-enamide is sourced from PubChem (CID 135190435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).