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

C23H28N2O3 — CID 15958389

IUPAC(4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccc(C)c(N)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O3/c1-15-7-9-18(13-20(15)24)25-14-17(12-23(25)26)16-8-10-21(27-2)22(11-16)28-19-5-3-4-6-19/h7-11,13,17,19H,3-6,12,14,24H2,1-2H3/t17-/m0/s1
InChIKeySYJQCVFIQKFGHH-KRWDZBQOSA-N
MW380.49 g/mol
LogP4.43
Rot. Bonds5

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

(4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 15958389) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID15958389
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccc(C)c(N)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O3/c1-15-7-9-18(13-20(15)24)25-14-17(12-23(25)26)16-8-10-21(27-2)22(11-16)28-19-5-3-4-6-19/h7-11,13,17,19H,3-6,12,14,24H2,1-2H3/t17-/m0/s1
InChIKeySYJQCVFIQKFGHH-KRWDZBQOSA-N
XLogP4.43
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.43
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-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (CID 15958389) is (4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(c3ccc(C)c(N)c3)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is SYJQCVFIQKFGHH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15-7-9-18(13-20(15)24)25-14-17(12-23(25)26)16-8-10-21(27-2)22(11-16)28-19-5-3-4-6-19/h7-11,13,17,19H,3-6,12,14,24H2,1-2H3/t17-/m0/s1.
What are the key properties of (4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
(4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-amino-4-methylphenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 15958389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).