2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride

C15H22ClN3O2 — CID 119285117

IUPAC2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1ccc(CN2CCCC2=O)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2,16)14(20)17-12-7-5-11(6-8-12)10-18-9-3-4-13(18)19;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,20);1H
InChIKeyNEIBGQBGZRHHDK-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride

2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride (PubChem CID 119285117) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
PubChem CID119285117
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1ccc(CN2CCCC2=O)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2,16)14(20)17-12-7-5-11(6-8-12)10-18-9-3-4-13(18)19;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,20);1H
InChIKeyNEIBGQBGZRHHDK-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119285129
1-(4-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052504
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
2-(2-methoxyethylamino)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 119715728
2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79813584
N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119285120
2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 111536754
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 27708025
3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 120608825

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride (CID 119285117) is 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride is CC(C)(N)C(=O)Nc1ccc(CN2CCCC2=O)cc1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride?
The InChIKey is NEIBGQBGZRHHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-15(2,16)14(20)17-12-7-5-11(6-8-12)10-18-9-3-4-13(18)19;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,20);1H.
What are the key properties of 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride?
2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119285117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).