3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide

C22H28N2O — CID 110244137

IUPAC3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(-c2ccccc2CC2(C(=O)NC(C)C)CCNC2)c1
InChIInChI=1S/C22H28N2O/c1-16(2)24-21(25)22(11-12-23-15-22)14-19-8-4-5-10-20(19)18-9-6-7-17(3)13-18/h4-10,13,16,23H,11-12,14-15H2,1-3H3,(H,24,25)
InChIKeyKXWLWMNVDVNBOV-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.71
Rot. Bonds5

About 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide

3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 110244137) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID110244137
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(-c2ccccc2CC2(C(=O)NC(C)C)CCNC2)c1
InChIInChI=1S/C22H28N2O/c1-16(2)24-21(25)22(11-12-23-15-22)14-19-8-4-5-10-20(19)18-9-6-7-17(3)13-18/h4-10,13,16,23H,11-12,14-15H2,1-3H3,(H,24,25)
InChIKeyKXWLWMNVDVNBOV-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide (CID 110244137) is 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide is Cc1cccc(-c2ccccc2CC2(C(=O)NC(C)C)CCNC2)c1.
What is the InChIKey of 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is KXWLWMNVDVNBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16(2)24-21(25)22(11-12-23-15-22)14-19-8-4-5-10-20(19)18-9-6-7-17(3)13-18/h4-10,13,16,23H,11-12,14-15H2,1-3H3,(H,24,25).
What are the key properties of 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110244137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).