1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide

C22H27N3O5 — CID 167275653

IUPAC1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)NCC2CCCCC2)ccc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C22H27N3O5/c1-25(18-9-10-19(27)24-21(18)29)22(30)17-11-15(7-8-16(17)13-26)20(28)23-12-14-5-3-2-4-6-14/h7-8,11,13-14,18H,2-6,9-10,12H2,1H3,(H,23,28)(H,24,27,29)
InChIKeyUXDTXCLCJFQKRI-UHFFFAOYSA-N
MW413.47 g/mol
LogP1.69
Rot. Bonds6

About 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide

1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 167275653) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID167275653
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)NCC2CCCCC2)ccc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C22H27N3O5/c1-25(18-9-10-19(27)24-21(18)29)22(30)17-11-15(7-8-16(17)13-26)20(28)23-12-14-5-3-2-4-6-14/h7-8,11,13-14,18H,2-6,9-10,12H2,1H3,(H,23,28)(H,24,27,29)
InChIKeyUXDTXCLCJFQKRI-UHFFFAOYSA-N
XLogP1.69
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide (CID 167275653) is 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide is CN(C(=O)c1cc(C(=O)NCC2CCCCC2)ccc1C=O)C1CCC(=O)NC1=O.
What is the InChIKey of 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is UXDTXCLCJFQKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-25(18-9-10-19(27)24-21(18)29)22(30)17-11-15(7-8-16(17)13-26)20(28)23-12-14-5-3-2-4-6-14/h7-8,11,13-14,18H,2-6,9-10,12H2,1H3,(H,23,28)(H,24,27,29).
What are the key properties of 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide?
1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 413.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 167275653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).