2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide

C18H24N2O4 — CID 10471954

IUPAC2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(C2CCN(C(=O)C(N)=O)C2)cc1OC1CCCC1
InChIInChI=1S/C18H24N2O4/c1-23-15-7-6-12(10-16(15)24-14-4-2-3-5-14)13-8-9-20(11-13)18(22)17(19)21/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H2,19,21)
InChIKeyCRNUKFLSKKAMRQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.82
Rot. Bonds4

About 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide

2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 10471954) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide
PubChem CID10471954
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(C2CCN(C(=O)C(N)=O)C2)cc1OC1CCCC1
InChIInChI=1S/C18H24N2O4/c1-23-15-7-6-12(10-16(15)24-14-4-2-3-5-14)13-8-9-20(11-13)18(22)17(19)21/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H2,19,21)
InChIKeyCRNUKFLSKKAMRQ-UHFFFAOYSA-N
XLogP1.82
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide (CID 10471954) is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide is COc1ccc(C2CCN(C(=O)C(N)=O)C2)cc1OC1CCCC1.
What is the InChIKey of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is CRNUKFLSKKAMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-15-7-6-12(10-16(15)24-14-4-2-3-5-14)13-8-9-20(11-13)18(22)17(19)21/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H2,19,21).
What are the key properties of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide?
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 332.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 10471954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).