1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide

C21H32N2O2 — CID 155550994

IUPAC1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCN(CCCC(=O)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C21H32N2O2/c1-5-11-22-20(25)21(4)10-13-23(15-21)12-6-7-19(24)18-9-8-16(2)17(3)14-18/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,22,25)
InChIKeyAUZAEIZBOJTEIU-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.50
Rot. Bonds8

About 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide

1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide (PubChem CID 155550994) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
PubChem CID155550994
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCN(CCCC(=O)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C21H32N2O2/c1-5-11-22-20(25)21(4)10-13-23(15-21)12-6-7-19(24)18-9-8-16(2)17(3)14-18/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,22,25)
InChIKeyAUZAEIZBOJTEIU-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide (CID 155550994) is 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1(C)CCN(CCCC(=O)c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide?
The InChIKey is AUZAEIZBOJTEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-5-11-22-20(25)21(4)10-13-23(15-21)12-6-7-19(24)18-9-8-16(2)17(3)14-18/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,22,25).
What are the key properties of 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide?
1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 155550994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).