4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide

C18H30N2O3 — CID 170672640

IUPAC4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(CN2C(=O)CC(C(C)(C)C)C2=O)CC1
InChIInChI=1S/C18H30N2O3/c1-5-19-16(22)13-8-6-12(7-9-13)11-20-15(21)10-14(17(20)23)18(2,3)4/h12-14H,5-11H2,1-4H3,(H,19,22)
InChIKeySUOQSBSXBKHQPR-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.35
Rot. Bonds4

About 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide

4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide (PubChem CID 170672640) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
PubChem CID170672640
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(CN2C(=O)CC(C(C)(C)C)C2=O)CC1
InChIInChI=1S/C18H30N2O3/c1-5-19-16(22)13-8-6-12(7-9-13)11-20-15(21)10-14(17(20)23)18(2,3)4/h12-14H,5-11H2,1-4H3,(H,19,22)
InChIKeySUOQSBSXBKHQPR-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.35
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-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 166992011
4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[[1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]triazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 167379837
N-butyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide
CID 145076971
[2-(disulfanyl)-2-methylpropanoyl]oxymethyl 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate
CID 155206012
3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
CID 147841672
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015
CID 174135070
CID 174135070
N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane
CID 145240187
1-[(4-acetylcyclohexyl)methyl]-3-ethylpyrrolidine-2,5-dione;ethane;methane
CID 154687931
3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione
CID 139516155
4-[(2,5-dioxo-3-propan-2-ylsulfanylpyrrolidin-1-yl)methyl]-N-hydroxycyclohexane-1-carboxamide;ethane;molecular hydrogen
CID 144786297
(3S)-3-methyl-1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 134510381

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide (CID 170672640) is 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide is CCNC(=O)C1CCC(CN2C(=O)CC(C(C)(C)C)C2=O)CC1.
What is the InChIKey of 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is SUOQSBSXBKHQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-19-16(22)13-8-6-12(7-9-13)11-20-15(21)10-14(17(20)23)18(2,3)4/h12-14H,5-11H2,1-4H3,(H,19,22).
What are the key properties of 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide?
4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 170672640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).