1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide

C16H23N3O2 — CID 106318151

IUPAC1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(N)c2ccc(C)cc2)C1
InChIInChI=1S/C16H23N3O2/c1-11-4-6-12(7-5-11)13(17)14(20)19-9-8-16(2,10-19)15(21)18-3/h4-7,13H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyLNYZVTPBIBJYBG-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.98
Rot. Bonds3

About 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106318151) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106318151
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(N)c2ccc(C)cc2)C1
InChIInChI=1S/C16H23N3O2/c1-11-4-6-12(7-5-11)13(17)14(20)19-9-8-16(2,10-19)15(21)18-3/h4-7,13H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyLNYZVTPBIBJYBG-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
2-amino-1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 166235966
1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317853
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668146
1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318225
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250
1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317442
1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317997
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318300

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106318151) is 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)C(N)c2ccc(C)cc2)C1.
What is the InChIKey of 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is LNYZVTPBIBJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-4-6-12(7-5-11)13(17)14(20)19-9-8-16(2,10-19)15(21)18-3/h4-7,13H,8-10,17H2,1-3H3,(H,18,21).
What are the key properties of 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106318151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).