2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide

C21H29NO4 — CID 59578205

IUPAC2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1CC/C=C/CCOC(=O)c2c(C)cc(C)cc2C1
InChIInChI=1S/C21H29NO4/c1-15-11-16(2)20-18(12-15)13-17(14-19(23)22(3)25-4)9-7-5-6-8-10-26-21(20)24/h5-6,11-12,17H,7-10,13-14H2,1-4H3/b6-5+
InChIKeyCXTBEFGHEWZOEY-AATRIKPKSA-N
MW359.47 g/mol
LogP3.77
Rot. Bonds3

About 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide

2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide (PubChem CID 59578205) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide
PubChem CID59578205
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1CC/C=C/CCOC(=O)c2c(C)cc(C)cc2C1
InChIInChI=1S/C21H29NO4/c1-15-11-16(2)20-18(12-15)13-17(14-19(23)22(3)25-4)9-7-5-6-8-10-26-21(20)24/h5-6,11-12,17H,7-10,13-14H2,1-4H3/b6-5+
InChIKeyCXTBEFGHEWZOEY-AATRIKPKSA-N
XLogP3.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide 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 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide (CID 59578205) is 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide is CON(C)C(=O)CC1CC/C=C/CCOC(=O)c2c(C)cc(C)cc2C1.
What is the InChIKey of 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide?
The InChIKey is CXTBEFGHEWZOEY-AATRIKPKSA-N. The full InChI is InChI=1S/C21H29NO4/c1-15-11-16(2)20-18(12-15)13-17(14-19(23)22(3)25-4)9-7-5-6-8-10-26-21(20)24/h5-6,11-12,17H,7-10,13-14H2,1-4H3/b6-5+.
What are the key properties of 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide?
2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide has a molecular weight of 359.47 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6E)-14,16-dimethyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraen-10-yl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 59578205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).