(E)-N-methoxy-N-methylundec-2-enamide

C13H25NO2 — CID 45112715

IUPAC(E)-N-methoxy-N-methylundec-2-enamide
SMILESCCCCCCCC/C=C/C(=O)N(C)OC
InChIInChI=1S/C13H25NO2/c1-4-5-6-7-8-9-10-11-12-13(15)14(2)16-3/h11-12H,4-10H2,1-3H3/b12-11+
InChIKeyJIYVVXIDCQTALZ-VAWYXSNFSA-N
MW227.35 g/mol
LogP3.31
Rot. Bonds9

About (E)-N-methoxy-N-methylundec-2-enamide

(E)-N-methoxy-N-methylundec-2-enamide (PubChem CID 45112715) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (E)-N-methoxy-N-methylundec-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N-methylundec-2-enamide
PubChem CID45112715
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(E)-N-methoxy-N-methylundec-2-enamide
SMILESCCCCCCCC/C=C/C(=O)N(C)OC
InChIInChI=1S/C13H25NO2/c1-4-5-6-7-8-9-10-11-12-13(15)14(2)16-3/h11-12H,4-10H2,1-3H3/b12-11+
InChIKeyJIYVVXIDCQTALZ-VAWYXSNFSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-methoxy-N-methylundec-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-methoxy-N-methylundec-2-enamide?
The IUPAC name of (E)-N-methoxy-N-methylundec-2-enamide (CID 45112715) is (E)-N-methoxy-N-methylundec-2-enamide.
What is the SMILES notation for (E)-N-methoxy-N-methylundec-2-enamide?
The canonical SMILES for (E)-N-methoxy-N-methylundec-2-enamide is CCCCCCCC/C=C/C(=O)N(C)OC.
What is the InChIKey of (E)-N-methoxy-N-methylundec-2-enamide?
The InChIKey is JIYVVXIDCQTALZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-6-7-8-9-10-11-12-13(15)14(2)16-3/h11-12H,4-10H2,1-3H3/b12-11+.
What are the key properties of (E)-N-methoxy-N-methylundec-2-enamide?
(E)-N-methoxy-N-methylundec-2-enamide has a molecular weight of 227.35 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N-methylundec-2-enamide is sourced from PubChem (CID 45112715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).