2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide

C15H21N3O2 — CID 168699033

IUPAC2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1N1CC(N)CC1=O
InChIInChI=1S/C15H21N3O2/c1-15(2,3)17-14(20)11-6-4-5-7-12(11)18-9-10(16)8-13(18)19/h4-7,10H,8-9,16H2,1-3H3,(H,17,20)
InChIKeyHRWVBYKDMVFWRO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.28
Rot. Bonds2

About 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide

2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide (PubChem CID 168699033) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide
PubChem CID168699033
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1N1CC(N)CC1=O
InChIInChI=1S/C15H21N3O2/c1-15(2,3)17-14(20)11-6-4-5-7-12(11)18-9-10(16)8-13(18)19/h4-7,10H,8-9,16H2,1-3H3,(H,17,20)
InChIKeyHRWVBYKDMVFWRO-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide
CID 168659058
methyl 1-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168692876
S-[1-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704615
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide
CID 168663727
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168662246
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168503974
N-methyl-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzamide
CID 168669971
5-oxo-1-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 168696074
4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
CID 168700800
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
3-(4-amino-2-oxopyrrolidin-1-yl)-4-methoxycarbonylbenzoic acid
CID 168699449
(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide?
The IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide (CID 168699033) is 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide.
What is the SMILES notation for 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide?
The canonical SMILES for 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccccc1N1CC(N)CC1=O.
What is the InChIKey of 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide?
The InChIKey is HRWVBYKDMVFWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)17-14(20)11-6-4-5-7-12(11)18-9-10(16)8-13(18)19/h4-7,10H,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide?
2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide is sourced from PubChem (CID 168699033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).