(2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide

C17H22N2O2 — CID 88961775

IUPAC(2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide
SMILESC=C/C(N)=C(\C=C(/C)O)C(=O)NC(=C)/C(C=C)=C/C=C\C
InChIInChI=1S/C17H22N2O2/c1-6-9-10-14(7-2)13(5)19-17(21)15(11-12(4)20)16(18)8-3/h6-11,20H,2-3,5,18H2,1,4H3,(H,19,21)/b9-6-,12-11+,14-10+,16-15-
InChIKeyDFEVZYXITZCPOA-XMRIBONPSA-N
MW286.38 g/mol
LogP3.17
Rot. Bonds7

About (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide

(2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide (PubChem CID 88961775) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide
PubChem CID88961775
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide
SMILESC=C/C(N)=C(\C=C(/C)O)C(=O)NC(=C)/C(C=C)=C/C=C\C
InChIInChI=1S/C17H22N2O2/c1-6-9-10-14(7-2)13(5)19-17(21)15(11-12(4)20)16(18)8-3/h6-11,20H,2-3,5,18H2,1,4H3,(H,19,21)/b9-6-,12-11+,14-10+,16-15-
InChIKeyDFEVZYXITZCPOA-XMRIBONPSA-N
XLogP3.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide (CID 88961775) is (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide is C=C/C(N)=C(\C=C(/C)O)C(=O)NC(=C)/C(C=C)=C/C=C\C.
What is the InChIKey of (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide?
The InChIKey is DFEVZYXITZCPOA-XMRIBONPSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-6-9-10-14(7-2)13(5)19-17(21)15(11-12(4)20)16(18)8-3/h6-11,20H,2-3,5,18H2,1,4H3,(H,19,21)/b9-6-,12-11+,14-10+,16-15-.
What are the key properties of (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide?
(2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide has a molecular weight of 286.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 88961775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).