2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide

C16H23N3O2 — CID 168659058

IUPAC2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1N1CC(CN)CC1=O
InChIInChI=1S/C16H23N3O2/c1-16(2,3)18-15(21)12-6-4-5-7-13(12)19-10-11(9-17)8-14(19)20/h4-7,11H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyPAMQGCHMWFASEX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide

2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide (PubChem CID 168659058) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide
PubChem CID168659058
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1N1CC(CN)CC1=O
InChIInChI=1S/C16H23N3O2/c1-16(2,3)18-15(21)12-6-4-5-7-13(12)19-10-11(9-17)8-14(19)20/h4-7,11H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyPAMQGCHMWFASEX-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide
CID 168699033
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
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
5-acetamido-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168659205
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-chlorobenzoate
CID 168659485
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide
CID 168659765

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide?
The IUPAC name of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide (CID 168659058) is 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccccc1N1CC(CN)CC1=O.
What is the InChIKey of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide?
The InChIKey is PAMQGCHMWFASEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)18-15(21)12-6-4-5-7-13(12)19-10-11(9-17)8-14(19)20/h4-7,11H,8-10,17H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide?
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide is sourced from PubChem (CID 168659058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).