(4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

C22H26N2O3 — CID 15958380

IUPAC(4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C22H26N2O3/c1-26-20-10-9-15(11-21(20)27-19-7-2-3-8-19)16-12-22(25)24(14-16)18-6-4-5-17(23)13-18/h4-6,9-11,13,16,19H,2-3,7-8,12,14,23H2,1H3/t16-/m0/s1
InChIKeyMBLZDHJUHFQZLN-INIZCTEOSA-N
MW366.46 g/mol
LogP4.12
Rot. Bonds5

About (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

(4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 15958380) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID15958380
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C22H26N2O3/c1-26-20-10-9-15(11-21(20)27-19-7-2-3-8-19)16-12-22(25)24(14-16)18-6-4-5-17(23)13-18/h4-6,9-11,13,16,19H,2-3,7-8,12,14,23H2,1H3/t16-/m0/s1
InChIKeyMBLZDHJUHFQZLN-INIZCTEOSA-N
XLogP4.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (CID 15958380) is (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is MBLZDHJUHFQZLN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-20-10-9-15(11-21(20)27-19-7-2-3-8-19)16-12-22(25)24(14-16)18-6-4-5-17(23)13-18/h4-6,9-11,13,16,19H,2-3,7-8,12,14,23H2,1H3/t16-/m0/s1.
What are the key properties of (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
(4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 366.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 15958380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).