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

C24H32N2O2 — CID 134802538

IUPAC1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
SMILESCCOCCNC(=O)C1CCCN1Cc1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C24H32N2O2/c1-4-28-13-11-25-24(27)23-6-5-12-26(23)17-20-7-9-21(10-8-20)22-15-18(2)14-19(3)16-22/h7-10,14-16,23H,4-6,11-13,17H2,1-3H3,(H,25,27)
InChIKeyPYRPVBPBDONAGQ-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.09
Rot. Bonds8

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

1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 134802538) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
PubChem CID134802538
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
SMILESCCOCCNC(=O)C1CCCN1Cc1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C24H32N2O2/c1-4-28-13-11-25-24(27)23-6-5-12-26(23)17-20-7-9-21(10-8-20)22-15-18(2)14-19(3)16-22/h7-10,14-16,23H,4-6,11-13,17H2,1-3H3,(H,25,27)
InChIKeyPYRPVBPBDONAGQ-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide (CID 134802538) is 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide is CCOCCNC(=O)C1CCCN1Cc1ccc(-c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is PYRPVBPBDONAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-28-13-11-25-24(27)23-6-5-12-26(23)17-20-7-9-21(10-8-20)22-15-18(2)14-19(3)16-22/h7-10,14-16,23H,4-6,11-13,17H2,1-3H3,(H,25,27).
What are the key properties of 1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide?
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-(2-ethoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 4.09, 8 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-ethoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134802538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).