(3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 92725773

IUPAC(3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC[C@H](C(=O)NCCOC)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-3-12-4-6-13(7-5-12)18-10-8-14(16(18)20)15(19)17-9-11-21-2/h4-7,14H,3,8-11H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyRXHRWRWVHHPALZ-CQSZACIVSA-N
MW290.36 g/mol
LogP1.36
Rot. Bonds6

About (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide

(3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 92725773) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID92725773
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC[C@H](C(=O)NCCOC)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-3-12-4-6-13(7-5-12)18-10-8-14(16(18)20)15(19)17-9-11-21-2/h4-7,14H,3,8-11H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyRXHRWRWVHHPALZ-CQSZACIVSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 94079870
1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 20964236
(3S)-1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 92765110
(3S)-1-(4-ethylphenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 94079884
(3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
CID 92725776
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797683
(3R)-1-(4-ethylphenyl)-N-[(2-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 95056101
(3S)-1-(4-ethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95056070
1-(4-ethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 50797619
(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 95056114

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide (CID 92725773) is (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC[C@H](C(=O)NCCOC)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is RXHRWRWVHHPALZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-12-4-6-13(7-5-12)18-10-8-14(16(18)20)15(19)17-9-11-21-2/h4-7,14H,3,8-11H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92725773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).