3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide

C11H18N2O2 — CID 142151029

IUPAC3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide
SMILESC=C/C=C\C(=C/C)CNC(=O)C(O)CN
InChIInChI=1S/C11H18N2O2/c1-3-5-6-9(4-2)8-13-11(15)10(14)7-12/h3-6,10,14H,1,7-8,12H2,2H3,(H,13,15)/b6-5-,9-4+
InChIKeySUIOBVKFUQZNPG-CXBDEZGUSA-N
MW210.28 g/mol
LogP0.11
Rot. Bonds6

About 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide

3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide (PubChem CID 142151029) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide
PubChem CID142151029
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide
SMILESC=C/C=C\C(=C/C)CNC(=O)C(O)CN
InChIInChI=1S/C11H18N2O2/c1-3-5-6-9(4-2)8-13-11(15)10(14)7-12/h3-6,10,14H,1,7-8,12H2,2H3,(H,13,15)/b6-5-,9-4+
InChIKeySUIOBVKFUQZNPG-CXBDEZGUSA-N
XLogP0.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide?
The IUPAC name of 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide (CID 142151029) is 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide.
What is the SMILES notation for 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide?
The canonical SMILES for 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide is C=C/C=C\C(=C/C)CNC(=O)C(O)CN.
What is the InChIKey of 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide?
The InChIKey is SUIOBVKFUQZNPG-CXBDEZGUSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-6-9(4-2)8-13-11(15)10(14)7-12/h3-6,10,14H,1,7-8,12H2,2H3,(H,13,15)/b6-5-,9-4+.
What are the key properties of 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide?
3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide has a molecular weight of 210.28 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-hydroxypropanamide is sourced from PubChem (CID 142151029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).