2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide

C11H18N2O2 — CID 169266156

IUPAC2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide
SMILESC=C(/C=C\C(=C)OC)NC(=O)C(N)CC
InChIInChI=1S/C11H18N2O2/c1-5-10(12)11(14)13-8(2)6-7-9(3)15-4/h6-7,10H,2-3,5,12H2,1,4H3,(H,13,14)/b7-6-
InChIKeySTMMGWMSHJRXSV-SREVYHEPSA-N
MW210.28 g/mol
LogP1.07
Rot. Bonds6

About 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide

2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide (PubChem CID 169266156) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide
PubChem CID169266156
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide
SMILESC=C(/C=C\C(=C)OC)NC(=O)C(N)CC
InChIInChI=1S/C11H18N2O2/c1-5-10(12)11(14)13-8(2)6-7-9(3)15-4/h6-7,10H,2-3,5,12H2,1,4H3,(H,13,14)/b7-6-
InChIKeySTMMGWMSHJRXSV-SREVYHEPSA-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 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide?
The IUPAC name of 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide (CID 169266156) is 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide.
What is the SMILES notation for 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide?
The canonical SMILES for 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide is C=C(/C=C\C(=C)OC)NC(=O)C(N)CC.
What is the InChIKey of 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide?
The InChIKey is STMMGWMSHJRXSV-SREVYHEPSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-10(12)11(14)13-8(2)6-7-9(3)15-4/h6-7,10H,2-3,5,12H2,1,4H3,(H,13,14)/b7-6-.
What are the key properties of 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide?
2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide 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 2-amino-N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]butanamide is sourced from PubChem (CID 169266156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).