N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide

C11H18N2O2 — CID 146416629

IUPACN-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide
SMILESC=C(/C=C\C=C(/N)CNC(=O)CC)OC
InChIInChI=1S/C11H18N2O2/c1-4-11(14)13-8-10(12)7-5-6-9(2)15-3/h5-7H,2,4,8,12H2,1,3H3,(H,13,14)/b6-5-,10-7-
InChIKeyWHDZOYCEDKZNGN-ICZHLNMZSA-N
MW210.28 g/mol
LogP1.07
Rot. Bonds6

About N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide

N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide (PubChem CID 146416629) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide
PubChem CID146416629
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide
SMILESC=C(/C=C\C=C(/N)CNC(=O)CC)OC
InChIInChI=1S/C11H18N2O2/c1-4-11(14)13-8-10(12)7-5-6-9(2)15-3/h5-7H,2,4,8,12H2,1,3H3,(H,13,14)/b6-5-,10-7-
InChIKeyWHDZOYCEDKZNGN-ICZHLNMZSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide?
The IUPAC name of N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide (CID 146416629) is N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide.
What is the SMILES notation for N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide?
The canonical SMILES for N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide is C=C(/C=C\C=C(/N)CNC(=O)CC)OC.
What is the InChIKey of N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide?
The InChIKey is WHDZOYCEDKZNGN-ICZHLNMZSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-11(14)13-8-10(12)7-5-6-9(2)15-3/h5-7H,2,4,8,12H2,1,3H3,(H,13,14)/b6-5-,10-7-.
What are the key properties of N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide?
N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide has a molecular weight of 210.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-2-amino-6-methoxyhepta-2,4,6-trienyl]propanamide is sourced from PubChem (CID 146416629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).