2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride

C15H22ClN3O2 — CID 119945951

IUPAC2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride
SMILESCC(C)(C)N1CC(NC(=O)c2ccccc2N)CC1=O.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2,3)18-9-10(8-13(18)19)17-14(20)11-6-4-5-7-12(11)16;/h4-7,10H,8-9,16H2,1-3H3,(H,17,20);1H
InChIKeyDBTBDNKTEAAVGR-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.82
Rot. Bonds2

About 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride

2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride (PubChem CID 119945951) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride
PubChem CID119945951
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride
SMILESCC(C)(C)N1CC(NC(=O)c2ccccc2N)CC1=O.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2,3)18-9-10(8-13(18)19)17-14(20)11-6-4-5-7-12(11)16;/h4-7,10H,8-9,16H2,1-3H3,(H,17,20);1H
InChIKeyDBTBDNKTEAAVGR-UHFFFAOYSA-N
XLogP1.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
CID 110736909
2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-phenylacetamide
CID 119343401
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 110736896
3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide
CID 110746066
1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
CID 108876118
1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
CID 108876310
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide;hydrochloride
CID 119343412
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 110746070
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
CID 110749319

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride (CID 119945951) is 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride is CC(C)(C)N1CC(NC(=O)c2ccccc2N)CC1=O.Cl.
What is the InChIKey of 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride?
The InChIKey is DBTBDNKTEAAVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-15(2,3)18-9-10(8-13(18)19)17-14(20)11-6-4-5-7-12(11)16;/h4-7,10H,8-9,16H2,1-3H3,(H,17,20);1H.
What are the key properties of 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride?
2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 119945951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).