4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide

C14H18N2O4 — CID 20775154

IUPAC4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(CC(=O)N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H18N2O4/c1-15-14(20)10-4-2-9(3-5-10)8-13(19)16-11(17)6-7-12(16)18/h6-7,9-10H,2-5,8H2,1H3,(H,15,20)
InChIKeyHRGIOPQMBBSURT-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.38
Rot. Bonds3

About 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide

4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 20775154) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
PubChem CID20775154
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(CC(=O)N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H18N2O4/c1-15-14(20)10-4-2-9(3-5-10)8-13(19)16-11(17)6-7-12(16)18/h6-7,9-10H,2-5,8H2,1H3,(H,15,20)
InChIKeyHRGIOPQMBBSURT-UHFFFAOYSA-N
XLogP0.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide (CID 20775154) is 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(CC(=O)N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is HRGIOPQMBBSURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-14(20)10-4-2-9(3-5-10)8-13(19)16-11(17)6-7-12(16)18/h6-7,9-10H,2-5,8H2,1H3,(H,15,20).
What are the key properties of 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dioxopyrrol-1-yl)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 20775154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).