ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate

C18H24N2O4 — CID 6471772

IUPACethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C18H24N2O4/c1-5-24-17(23)12-6-8-14(9-7-12)19-16(22)13-10-15(21)20(11-13)18(2,3)4/h6-9,13H,5,10-11H2,1-4H3,(H,19,22)
InChIKeyLFVCMIUOQKYGHS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.45
Rot. Bonds4

About ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate

ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate (PubChem CID 6471772) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
PubChem CID6471772
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C18H24N2O4/c1-5-24-17(23)12-6-8-14(9-7-12)19-16(22)13-10-15(21)20(11-13)18(2,3)4/h6-9,13H,5,10-11H2,1-4H3,(H,19,22)
InChIKeyLFVCMIUOQKYGHS-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755534
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
ethyl 4-[[5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186826
ethyl 4-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8885474
ethyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8885570
ethyl 4-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 84899004
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761568
ethyl 4-[[1-(4-cyanophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192053
ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190637
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762179
1-tert-butyl-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081152

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate (CID 6471772) is ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)cc1.
What is the InChIKey of ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate?
The InChIKey is LFVCMIUOQKYGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-24-17(23)12-6-8-14(9-7-12)19-16(22)13-10-15(21)20(11-13)18(2,3)4/h6-9,13H,5,10-11H2,1-4H3,(H,19,22).
What are the key properties of ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate?
ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate has a molecular weight of 332.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 6471772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).