(2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C14H19N3O3 — CID 130441907

IUPAC(2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)NCCN1CCC(=O)NC1=O
InChIInChI=1S/C14H19N3O3/c1-3-5-11(6-4-2)13(19)15-8-10-17-9-7-12(18)16-14(17)20/h3-6H,1,7-10H2,2H3,(H,15,19)(H,16,18,20)/b6-4-,11-5+
InChIKeyLLEJPEZYWKVXSS-NQTKGXIKSA-N
MW277.32 g/mol
LogP0.73
Rot. Bonds6

About (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 130441907) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID130441907
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)NCCN1CCC(=O)NC1=O
InChIInChI=1S/C14H19N3O3/c1-3-5-11(6-4-2)13(19)15-8-10-17-9-7-12(18)16-14(17)20/h3-6H,1,7-10H2,2H3,(H,15,19)(H,16,18,20)/b6-4-,11-5+
InChIKeyLLEJPEZYWKVXSS-NQTKGXIKSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 130441907) is (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C/C=C(\C=C/C)C(=O)NCCN1CCC(=O)NC1=O.
What is the InChIKey of (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is LLEJPEZYWKVXSS-NQTKGXIKSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-5-11(6-4-2)13(19)15-8-10-17-9-7-12(18)16-14(17)20/h3-6H,1,7-10H2,2H3,(H,15,19)(H,16,18,20)/b6-4-,11-5+.
What are the key properties of (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 277.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 130441907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).