(E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide

C17H29NO2 — CID 58348979

IUPAC(E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide
SMILESC/C=C/C(=O)NC(C)(C)C(C)(C)CC(=O)C/C=C\CC
InChIInChI=1S/C17H29NO2/c1-7-9-10-12-14(19)13-16(3,4)17(5,6)18-15(20)11-8-2/h8-11H,7,12-13H2,1-6H3,(H,18,20)/b10-9-,11-8+
InChIKeyFZVFFBZAOADDTQ-LMMFKTOUSA-N
MW279.42 g/mol
LogP3.80
Rot. Bonds8

About (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide

(E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide (PubChem CID 58348979) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide
PubChem CID58348979
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide
SMILESC/C=C/C(=O)NC(C)(C)C(C)(C)CC(=O)C/C=C\CC
InChIInChI=1S/C17H29NO2/c1-7-9-10-12-14(19)13-16(3,4)17(5,6)18-15(20)11-8-2/h8-11H,7,12-13H2,1-6H3,(H,18,20)/b10-9-,11-8+
InChIKeyFZVFFBZAOADDTQ-LMMFKTOUSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide?
The IUPAC name of (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide (CID 58348979) is (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide?
The canonical SMILES for (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide is C/C=C/C(=O)NC(C)(C)C(C)(C)CC(=O)C/C=C\CC.
What is the InChIKey of (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide?
The InChIKey is FZVFFBZAOADDTQ-LMMFKTOUSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-9-10-12-14(19)13-16(3,4)17(5,6)18-15(20)11-8-2/h8-11H,7,12-13H2,1-6H3,(H,18,20)/b10-9-,11-8+.
What are the key properties of (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide?
(E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide has a molecular weight of 279.42 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide is sourced from PubChem (CID 58348979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).