4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide

C14H22N2O3 — CID 166992011

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C14H22N2O3/c1-2-15-14(19)11-5-3-10(4-6-11)9-16-12(17)7-8-13(16)18/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyIWWXIIYUYMEQAN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.08
Rot. Bonds4

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide (PubChem CID 166992011) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
PubChem CID166992011
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C14H22N2O3/c1-2-15-14(19)11-5-3-10(4-6-11)9-16-12(17)7-8-13(16)18/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyIWWXIIYUYMEQAN-UHFFFAOYSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 170672640
1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 58069219
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 118248281
N-butyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide
CID 145076971
1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 175926594
ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
CID 164564557
N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane
CID 145240187
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 130219574
CID 158801537
CID 158801537
(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;ethane
CID 143724509
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
CID 4200874
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide (CID 166992011) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide is CCNC(=O)C1CCC(CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is IWWXIIYUYMEQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-15-14(19)11-5-3-10(4-6-11)9-16-12(17)7-8-13(16)18/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 166992011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).