N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C22H33N3O3 — CID 55559044

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CC(=O)N(c2cccc(C(C)C)c2)C1
InChIInChI=1S/C22H33N3O3/c1-7-24(14-19(26)23-22(4,5)6)21(28)17-12-20(27)25(13-17)18-10-8-9-16(11-18)15(2)3/h8-11,15,17H,7,12-14H2,1-6H3,(H,23,26)
InChIKeyVUSWFSSXZOASAP-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 55559044) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID55559044
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CC(=O)N(c2cccc(C(C)C)c2)C1
InChIInChI=1S/C22H33N3O3/c1-7-24(14-19(26)23-22(4,5)6)21(28)17-12-20(27)25(13-17)18-10-8-9-16(11-18)15(2)3/h8-11,15,17H,7,12-14H2,1-6H3,(H,23,26)
InChIKeyVUSWFSSXZOASAP-UHFFFAOYSA-N
XLogP2.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 42952777
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,3-dimethylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 51156735
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
5-oxo-N-[2-oxo-2-(propylamino)ethyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053458
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51156736
N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51157028
methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189282
4-chloro-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168687326
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
N-(3-acetamido-2-methylphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947581

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 55559044) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)C1CC(=O)N(c2cccc(C(C)C)c2)C1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is VUSWFSSXZOASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-7-24(14-19(26)23-22(4,5)6)21(28)17-12-20(27)25(13-17)18-10-8-9-16(11-18)15(2)3/h8-11,15,17H,7,12-14H2,1-6H3,(H,23,26).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55559044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).