N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide

C11H18N2O2 — CID 134509547

IUPACN-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide
SMILESC=N/C(=C\C=C(/C)NC(=O)C(C)C)OC
InChIInChI=1S/C11H18N2O2/c1-8(2)11(14)13-9(3)6-7-10(12-4)15-5/h6-8H,4H2,1-3,5H3,(H,13,14)/b9-6+,10-7+
InChIKeyRCCMTFBSISSLSD-KZZDLZNXSA-N
MW210.28 g/mol
LogP1.85
Rot. Bonds5

About N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide

N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide (PubChem CID 134509547) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide
PubChem CID134509547
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide
SMILESC=N/C(=C\C=C(/C)NC(=O)C(C)C)OC
InChIInChI=1S/C11H18N2O2/c1-8(2)11(14)13-9(3)6-7-10(12-4)15-5/h6-8H,4H2,1-3,5H3,(H,13,14)/b9-6+,10-7+
InChIKeyRCCMTFBSISSLSD-KZZDLZNXSA-N
XLogP1.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide 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 N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide (CID 134509547) is N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide is C=N/C(=C\C=C(/C)NC(=O)C(C)C)OC.
What is the InChIKey of N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide?
The InChIKey is RCCMTFBSISSLSD-KZZDLZNXSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)11(14)13-9(3)6-7-10(12-4)15-5/h6-8H,4H2,1-3,5H3,(H,13,14)/b9-6+,10-7+.
What are the key properties of N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide?
N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide has a molecular weight of 210.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide is sourced from PubChem (CID 134509547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).