(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H24N2O2 — CID 9213773

IUPAC(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-2-13-7-9-16(10-8-13)20-12-14(11-17(20)21)18(22)19-15-5-3-4-6-15/h7-10,14-15H,2-6,11-12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyXIYFAINJQCSOBL-CQSZACIVSA-N
MW300.40 g/mol
LogP2.66
Rot. Bonds4

About (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9213773) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9213773
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-2-13-7-9-16(10-8-13)20-12-14(11-17(20)21)18(22)19-15-5-3-4-6-15/h7-10,14-15H,2-6,11-12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyXIYFAINJQCSOBL-CQSZACIVSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9213773) is (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1.
What is the InChIKey of (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XIYFAINJQCSOBL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-13-7-9-16(10-8-13)20-12-14(11-17(20)21)18(22)19-15-5-3-4-6-15/h7-10,14-15H,2-6,11-12H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9213773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).