N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H25N3O3 — CID 18086803

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(=O)NC(C)(C)C)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-12-5-7-14(8-6-12)21-11-13(9-16(21)23)17(24)19-10-15(22)20-18(2,3)4/h5-8,13H,9-11H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyRQKBBUQEQJFFBH-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.38
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18086803) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18086803
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(=O)NC(C)(C)C)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-12-5-7-14(8-6-12)21-11-13(9-16(21)23)17(24)19-10-15(22)20-18(2,3)4/h5-8,13H,9-11H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyRQKBBUQEQJFFBH-UHFFFAOYSA-N
XLogP1.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119524316
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608267
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524390
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 43013798
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134029726
1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 43009821
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 18086803) is N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCC(=O)NC(C)(C)C)CC2=O)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RQKBBUQEQJFFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-5-7-14(8-6-12)21-11-13(9-16(21)23)17(24)19-10-15(22)20-18(2,3)4/h5-8,13H,9-11H2,1-4H3,(H,19,24)(H,20,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).