3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide

C21H25N3O4 — CID 143339529

IUPAC3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(CNC(=O)C2CC2)c1C)C1CCC(=O)NC1=O
InChIInChI=1S/C21H25N3O4/c1-3-11-24(17-9-10-18(25)23-20(17)27)21(28)16-6-4-5-15(13(16)2)12-22-19(26)14-7-8-14/h3-6,14,17H,1,7-12H2,2H3,(H,22,26)(H,23,25,27)
InChIKeyGEMVAXNHQCWWRK-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.45
Rot. Bonds7

About 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide

3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide (PubChem CID 143339529) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide
PubChem CID143339529
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(CNC(=O)C2CC2)c1C)C1CCC(=O)NC1=O
InChIInChI=1S/C21H25N3O4/c1-3-11-24(17-9-10-18(25)23-20(17)27)21(28)16-6-4-5-15(13(16)2)12-22-19(26)14-7-8-14/h3-6,14,17H,1,7-12H2,2H3,(H,22,26)(H,23,25,27)
InChIKeyGEMVAXNHQCWWRK-UHFFFAOYSA-N
XLogP1.45
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide (CID 143339529) is 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cccc(CNC(=O)C2CC2)c1C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide?
The InChIKey is GEMVAXNHQCWWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-11-24(17-9-10-18(25)23-20(17)27)21(28)16-6-4-5-15(13(16)2)12-22-19(26)14-7-8-14/h3-6,14,17H,1,7-12H2,2H3,(H,22,26)(H,23,25,27).
What are the key properties of 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide?
3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropanecarbonylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-2-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 143339529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).