1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide

C15H21N3O3 — CID 171998883

IUPAC1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)Nc2ccccc2OC)C1
InChIInChI=1S/C15H21N3O3/c1-16-15(20)11-7-8-18(9-11)10-14(19)17-12-5-3-4-6-13(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyRZILXTQIQVXYGW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.70
Rot. Bonds5

About 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide

1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 171998883) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID171998883
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)Nc2ccccc2OC)C1
InChIInChI=1S/C15H21N3O3/c1-16-15(20)11-7-8-18(9-11)10-14(19)17-12-5-3-4-6-13(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyRZILXTQIQVXYGW-UHFFFAOYSA-N
XLogP0.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 166601973
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 86913235
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615
4-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide
CID 166601947
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-(2-methoxyphenyl)-2-[3-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 166601980
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 22194042
1-[2-(4-iodoanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide (CID 171998883) is 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(CC(=O)Nc2ccccc2OC)C1.
What is the InChIKey of 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is RZILXTQIQVXYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-15(20)11-7-8-18(9-11)10-14(19)17-12-5-3-4-6-13(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide?
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 171998883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).