(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C24H29N3O4 — CID 51933577

IUPAC(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1
InChIInChI=1S/C24H29N3O4/c1-16(2)17-7-6-8-19(13-17)27-15-18(14-22(27)28)23(29)26-21-10-5-4-9-20(21)24(30)25-11-12-31-3/h4-10,13,16,18H,11-12,14-15H2,1-3H3,(H,25,30)(H,26,29)/t18-/m0/s1
InChIKeySNKVELUGUGSWNJ-SFHVURJKSA-N
MW423.51 g/mol
LogP3.18
Rot. Bonds8

About (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 51933577) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID51933577
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1
InChIInChI=1S/C24H29N3O4/c1-16(2)17-7-6-8-19(13-17)27-15-18(14-22(27)28)23(29)26-21-10-5-4-9-20(21)24(30)25-11-12-31-3/h4-10,13,16,18H,11-12,14-15H2,1-3H3,(H,25,30)(H,26,29)/t18-/m0/s1
InChIKeySNKVELUGUGSWNJ-SFHVURJKSA-N
XLogP3.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamido-2-methylphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947581
1-(3-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46436702
1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17082457
methyl 2-[[1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113190189
N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947127
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55711817
(3S)-1-(4-bromophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34751808
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34749282
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822792
(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822791
1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120257
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 51933577) is (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is COCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1.
What is the InChIKey of (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SNKVELUGUGSWNJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16(2)17-7-6-8-19(13-17)27-15-18(14-22(27)28)23(29)26-21-10-5-4-9-20(21)24(30)25-11-12-31-3/h4-10,13,16,18H,11-12,14-15H2,1-3H3,(H,25,30)(H,26,29)/t18-/m0/s1.
What are the key properties of (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51933577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).