N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide

C15H21N3O2 — CID 79389093

IUPACN-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-11-13(8-9-16-11)15(20)18(2)10-14(19)17-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,19)
InChIKeyFWSWRPHXKPFYDA-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.08
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide

N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide (PubChem CID 79389093) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
PubChem CID79389093
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-11-13(8-9-16-11)15(20)18(2)10-14(19)17-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,19)
InChIKeyFWSWRPHXKPFYDA-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide (CID 79389093) is N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The InChIKey is FWSWRPHXKPFYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-13(8-9-16-11)15(20)18(2)10-14(19)17-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide?
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79389093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).