3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide

C22H28N4O4 — CID 170384418

IUPAC3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
SMILESC/C(=C\C=C(/C)CNc1cccc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C)CN
InChIInChI=1S/C22H28N4O4/c1-14(11-23)7-8-15(2)12-24-18-6-4-5-17(16(18)3)22(30)26(13-27)19-9-10-20(28)25-21(19)29/h4-8,13,19,24H,9-12,23H2,1-3H3,(H,25,28,29)/b14-7+,15-8+
InChIKeyRFNZOHRFYNYMGZ-IROCBMIISA-N
MW412.49 g/mol
LogP1.66
Rot. Bonds8

About 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide

3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide (PubChem CID 170384418) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide.

Molecular Properties

Compound Name3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
PubChem CID170384418
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
SMILESC/C(=C\C=C(/C)CNc1cccc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C)CN
InChIInChI=1S/C22H28N4O4/c1-14(11-23)7-8-15(2)12-24-18-6-4-5-17(16(18)3)22(30)26(13-27)19-9-10-20(28)25-21(19)29/h4-8,13,19,24H,9-12,23H2,1-3H3,(H,25,28,29)/b14-7+,15-8+
InChIKeyRFNZOHRFYNYMGZ-IROCBMIISA-N
XLogP1.66
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
The IUPAC name of 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide (CID 170384418) is 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide.
What is the SMILES notation for 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
The canonical SMILES for 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide is C/C(=C\C=C(/C)CNc1cccc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C)CN.
What is the InChIKey of 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
The InChIKey is RFNZOHRFYNYMGZ-IROCBMIISA-N. The full InChI is InChI=1S/C22H28N4O4/c1-14(11-23)7-8-15(2)12-24-18-6-4-5-17(16(18)3)22(30)26(13-27)19-9-10-20(28)25-21(19)29/h4-8,13,19,24H,9-12,23H2,1-3H3,(H,25,28,29)/b14-7+,15-8+.
What are the key properties of 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide has a molecular weight of 412.49 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide is sourced from PubChem (CID 170384418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).