(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one

C24H29NO3 — CID 10271091

IUPAC(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(Cc3ccccc3C)C2)cc1OC1CCCC1
InChIInChI=1S/C24H29NO3/c1-17-7-3-4-8-19(17)15-25-16-20(14-24(25)26)18-11-12-22(27-2)23(13-18)28-21-9-5-6-10-21/h3-4,7-8,11-13,20-21H,5-6,9-10,14-16H2,1-2H3/t20-/m1/s1
InChIKeyZKZGOHAIRWNOTC-HXUWFJFHSA-N
MW379.50 g/mol
LogP4.84
Rot. Bonds6

About (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one

(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 10271091) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID10271091
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(Cc3ccccc3C)C2)cc1OC1CCCC1
InChIInChI=1S/C24H29NO3/c1-17-7-3-4-8-19(17)15-25-16-20(14-24(25)26)18-11-12-22(27-2)23(13-18)28-21-9-5-6-10-21/h3-4,7-8,11-13,20-21H,5-6,9-10,14-16H2,1-2H3/t20-/m1/s1
InChIKeyZKZGOHAIRWNOTC-HXUWFJFHSA-N
XLogP4.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one (CID 10271091) is (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one is COc1ccc([C@@H]2CC(=O)N(Cc3ccccc3C)C2)cc1OC1CCCC1.
What is the InChIKey of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is ZKZGOHAIRWNOTC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29NO3/c1-17-7-3-4-8-19(17)15-25-16-20(14-24(25)26)18-11-12-22(27-2)23(13-18)28-21-9-5-6-10-21/h3-4,7-8,11-13,20-21H,5-6,9-10,14-16H2,1-2H3/t20-/m1/s1.
What are the key properties of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one?
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 379.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 10271091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).