(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide

C16H22N2O4 — CID 171846901

IUPAC(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=C(C)OC(C)C)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H22N2O4/c1-5-6-12(9-11(4)22-10(2)3)15(20)17-13-7-8-14(19)18-16(13)21/h5-6,9-10,13H,1,7-8H2,2-4H3,(H,17,20)(H,18,19,21)/b11-9?,12-6+
InChIKeyOQXMUVUFBOVONI-KYZLDJIKSA-N
MW306.36 g/mol
LogP1.35
Rot. Bonds6

About (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide (PubChem CID 171846901) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide
PubChem CID171846901
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=C(C)OC(C)C)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H22N2O4/c1-5-6-12(9-11(4)22-10(2)3)15(20)17-13-7-8-14(19)18-16(13)21/h5-6,9-10,13H,1,7-8H2,2-4H3,(H,17,20)(H,18,19,21)/b11-9?,12-6+
InChIKeyOQXMUVUFBOVONI-KYZLDJIKSA-N
XLogP1.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide?
The IUPAC name of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide (CID 171846901) is (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide is C=C/C=C(\C=C(C)OC(C)C)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide?
The InChIKey is OQXMUVUFBOVONI-KYZLDJIKSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-6-12(9-11(4)22-10(2)3)15(20)17-13-7-8-14(19)18-16(13)21/h5-6,9-10,13H,1,7-8H2,2-4H3,(H,17,20)(H,18,19,21)/b11-9?,12-6+.
What are the key properties of (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide?
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide has a molecular weight of 306.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-propan-2-yloxyprop-1-enyl)penta-2,4-dienamide is sourced from PubChem (CID 171846901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).