N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide

C11H18N2O2 — CID 166967387

IUPACN-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide
SMILESC=C(/C=C\C=C/N)CNC(=O)CCOC
InChIInChI=1S/C11H18N2O2/c1-10(5-3-4-7-12)9-13-11(14)6-8-15-2/h3-5,7H,1,6,8-9,12H2,2H3,(H,13,14)/b5-3-,7-4-
InChIKeyGWWDMMIGNLQOQP-XDYPTIOJSA-N
MW210.28 g/mol
LogP0.72
Rot. Bonds7

About N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide

N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide (PubChem CID 166967387) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide
PubChem CID166967387
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide
SMILESC=C(/C=C\C=C/N)CNC(=O)CCOC
InChIInChI=1S/C11H18N2O2/c1-10(5-3-4-7-12)9-13-11(14)6-8-15-2/h3-5,7H,1,6,8-9,12H2,2H3,(H,13,14)/b5-3-,7-4-
InChIKeyGWWDMMIGNLQOQP-XDYPTIOJSA-N
XLogP0.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide 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-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide?
The IUPAC name of N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide (CID 166967387) is N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide?
The canonical SMILES for N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide is C=C(/C=C\C=C/N)CNC(=O)CCOC.
What is the InChIKey of N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide?
The InChIKey is GWWDMMIGNLQOQP-XDYPTIOJSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10(5-3-4-7-12)9-13-11(14)6-8-15-2/h3-5,7H,1,6,8-9,12H2,2H3,(H,13,14)/b5-3-,7-4-.
What are the key properties of N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide?
N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide has a molecular weight of 210.28 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-3-methoxypropanamide is sourced from PubChem (CID 166967387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).