3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one

C24H32N2O2 — CID 23073333

IUPAC3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one
SMILESCc1cc(C)cc(CN(OCCCC(C)c2ccccc2)C2CCNC2=O)c1
InChIInChI=1S/C24H32N2O2/c1-18-14-19(2)16-21(15-18)17-26(23-11-12-25-24(23)27)28-13-7-8-20(3)22-9-5-4-6-10-22/h4-6,9-10,14-16,20,23H,7-8,11-13,17H2,1-3H3,(H,25,27)
InChIKeyZRPZEVVZKOHJGI-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.51
Rot. Bonds9

About 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one

3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one (PubChem CID 23073333) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one
PubChem CID23073333
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one
SMILESCc1cc(C)cc(CN(OCCCC(C)c2ccccc2)C2CCNC2=O)c1
InChIInChI=1S/C24H32N2O2/c1-18-14-19(2)16-21(15-18)17-26(23-11-12-25-24(23)27)28-13-7-8-20(3)22-9-5-4-6-10-22/h4-6,9-10,14-16,20,23H,7-8,11-13,17H2,1-3H3,(H,25,27)
InChIKeyZRPZEVVZKOHJGI-UHFFFAOYSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one?
The IUPAC name of 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one (CID 23073333) is 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one is Cc1cc(C)cc(CN(OCCCC(C)c2ccccc2)C2CCNC2=O)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one?
The InChIKey is ZRPZEVVZKOHJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18-14-19(2)16-21(15-18)17-26(23-11-12-25-24(23)27)28-13-7-8-20(3)22-9-5-4-6-10-22/h4-6,9-10,14-16,20,23H,7-8,11-13,17H2,1-3H3,(H,25,27).
What are the key properties of 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one?
3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one has a molecular weight of 380.53 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one is sourced from PubChem (CID 23073333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).