1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C23H30N2O — CID 134801338

IUPAC1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC3C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C23H30N2O/c1-16(2)24-23(26)22-6-5-11-25(22)15-19-7-9-20(10-8-19)21-13-17(3)12-18(4)14-21/h7-10,12-14,16,22H,5-6,11,15H2,1-4H3,(H,24,26)
InChIKeyZVFPJXVVYARPIZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.46
Rot. Bonds5

About 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 134801338) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID134801338
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(-c2ccc(CN3CCCC3C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C23H30N2O/c1-16(2)24-23(26)22-6-5-11-25(22)15-19-7-9-20(10-8-19)21-13-17(3)12-18(4)14-21/h7-10,12-14,16,22H,5-6,11,15H2,1-4H3,(H,24,26)
InChIKeyZVFPJXVVYARPIZ-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 134801338) is 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1cc(C)cc(-c2ccc(CN3CCCC3C(=O)NC(C)C)cc2)c1.
What is the InChIKey of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is ZVFPJXVVYARPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16(2)24-23(26)22-6-5-11-25(22)15-19-7-9-20(10-8-19)21-13-17(3)12-18(4)14-21/h7-10,12-14,16,22H,5-6,11,15H2,1-4H3,(H,24,26).
What are the key properties of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134801338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).