(3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide

C19H27N3O3 — CID 92725776

IUPAC(3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC[C@@H](C(=O)NCCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-2-15-3-5-16(6-4-15)22-9-7-17(19(22)24)18(23)20-8-10-21-11-13-25-14-12-21/h3-6,17H,2,7-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyUHNFUTVZJXHTRM-KRWDZBQOSA-N
MW345.44 g/mol
LogP1.05
Rot. Bonds6

About (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide

(3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 92725776) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID92725776
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC[C@@H](C(=O)NCCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-2-15-3-5-16(6-4-15)22-9-7-17(19(22)24)18(23)20-8-10-21-11-13-25-14-12-21/h3-6,17H,2,7-14H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyUHNFUTVZJXHTRM-KRWDZBQOSA-N
XLogP1.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-(2-morpholin-4-ylethyl)-2-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 42853624
(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)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 94079870
1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 46062378
(3R)-1-(4-ethylphenyl)-N-[(2-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 95056101
1-N-(4-ethylphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133886
(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 (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide (CID 92725776) is (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC[C@@H](C(=O)NCCN3CCOCC3)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is UHNFUTVZJXHTRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-15-3-5-16(6-4-15)22-9-7-17(19(22)24)18(23)20-8-10-21-11-13-25-14-12-21/h3-6,17H,2,7-14H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92725776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).