1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

C19H27N3O2 — CID 20964236

IUPAC1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CCC(C(=O)NCCN3CCCC3)C2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-2-15-5-7-16(8-6-15)22-13-9-17(19(22)24)18(23)20-10-14-21-11-3-4-12-21/h5-8,17H,2-4,9-14H2,1H3,(H,20,23)
InChIKeyMCBMHZDBGMFKIZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.81
Rot. Bonds6

About 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 20964236) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID20964236
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CCC(C(=O)NCCN3CCCC3)C2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-2-15-5-7-16(8-6-15)22-13-9-17(19(22)24)18(23)20-10-14-21-11-3-4-12-21/h5-8,17H,2-4,9-14H2,1H3,(H,20,23)
InChIKeyMCBMHZDBGMFKIZ-UHFFFAOYSA-N
XLogP1.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 92765110
(3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
CID 92725776
(3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 92725773
(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 92750593
1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 46347377
(3S)-1-(4-ethylphenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 94079884
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 94079870
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-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 20964236) is 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is CCc1ccc(N2CCC(C(=O)NCCN3CCCC3)C2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is MCBMHZDBGMFKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-15-5-7-16(8-6-15)22-13-9-17(19(22)24)18(23)20-10-14-21-11-3-4-12-21/h5-8,17H,2-4,9-14H2,1H3,(H,20,23).
What are the key properties of 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 20964236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).