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

C23H30N2O2 — CID 134801747

IUPAC1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CCCN1Cc1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C23H30N2O2/c1-17-13-18(2)15-21(14-17)20-8-6-19(7-9-20)16-25-11-4-5-22(25)23(26)24-10-12-27-3/h6-9,13-15,22H,4-5,10-12,16H2,1-3H3,(H,24,26)
InChIKeyNCNOQZINLYSFCZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.70
Rot. Bonds7

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

1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 134801747) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
PubChem CID134801747
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CCCN1Cc1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C23H30N2O2/c1-17-13-18(2)15-21(14-17)20-8-6-19(7-9-20)16-25-11-4-5-22(25)23(26)24-10-12-27-3/h6-9,13-15,22H,4-5,10-12,16H2,1-3H3,(H,24,26)
InChIKeyNCNOQZINLYSFCZ-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (CID 134801747) is 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is COCCNC(=O)C1CCCN1Cc1ccc(-c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is NCNOQZINLYSFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-13-18(2)15-21(14-17)20-8-6-19(7-9-20)16-25-11-4-5-22(25)23(26)24-10-12-27-3/h6-9,13-15,22H,4-5,10-12,16H2,1-3H3,(H,24,26).
What are the key properties of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134801747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).