4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide

C15H23N3O3 — CID 22964485

IUPAC4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
SMILESCNCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H23N3O3/c1-16-8-9-17-15(21)12-4-2-11(3-5-12)10-18-13(19)6-7-14(18)20/h6-7,11-12,16H,2-5,8-10H2,1H3,(H,17,21)
InChIKeyZKWHVSOAZZAMFZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.05
Rot. Bonds6

About 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide

4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 22964485) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID22964485
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
SMILESCNCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H23N3O3/c1-16-8-9-17-15(21)12-4-2-11(3-5-12)10-18-13(19)6-7-14(18)20/h6-7,11-12,16H,2-5,8-10H2,1H3,(H,17,21)
InChIKeyZKWHVSOAZZAMFZ-UHFFFAOYSA-N
XLogP0.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide (CID 22964485) is 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide is CNCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is ZKWHVSOAZZAMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-16-8-9-17-15(21)12-4-2-11(3-5-12)10-18-13(19)6-7-14(18)20/h6-7,11-12,16H,2-5,8-10H2,1H3,(H,17,21).
What are the key properties of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide?
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 22964485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).