1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide

C15H21N3O2 — CID 106317438

IUPAC1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)Cc2ccccc2N)C1
InChIInChI=1S/C15H21N3O2/c1-15(14(20)17-2)7-8-18(10-15)13(19)9-11-5-3-4-6-12(11)16/h3-6H,7-10,16H2,1-2H3,(H,17,20)
InChIKeyANUXFRAQXARVJD-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.80
Rot. Bonds3

About 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317438) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317438
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)Cc2ccccc2N)C1
InChIInChI=1S/C15H21N3O2/c1-15(14(20)17-2)7-8-18(10-15)13(19)9-11-5-3-4-6-12(11)16/h3-6H,7-10,16H2,1-2H3,(H,17,20)
InChIKeyANUXFRAQXARVJD-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.80
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

1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-[2-(4-cyanophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151787
1-(3-amino-2-bromobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317517
1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317442
(3S)-1-[2-(2-bromophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124698081
1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
CID 138056644
1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
CID 106319264
(3S)-1-[2-(4-tert-butylphenoxy)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 100650072
1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172830
N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide
CID 106318285
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxamide
CID 106151836
2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 106317949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317438) is 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)Cc2ccccc2N)C1.
What is the InChIKey of 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is ANUXFRAQXARVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(14(20)17-2)7-8-18(10-15)13(19)9-11-5-3-4-6-12(11)16/h3-6H,7-10,16H2,1-2H3,(H,17,20).
What are the key properties of 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).