(3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide

C21H21N3O2 — CID 25276752

IUPAC(3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H21N3O2/c25-20(18-11-14-24(21(18)26)17-7-2-1-3-8-17)22-12-15-23-13-10-16-6-4-5-9-19(16)23/h1-10,13,18H,11-12,14-15H2,(H,22,25)/t18-/m1/s1
InChIKeyOGUVYVJLENZJKN-GOSISDBHSA-N
MW347.42 g/mol
LogP2.81
Rot. Bonds5

About (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 25276752) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID25276752
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H21N3O2/c25-20(18-11-14-24(21(18)26)17-7-2-1-3-8-17)22-12-15-23-13-10-16-6-4-5-9-19(16)23/h1-10,13,18H,11-12,14-15H2,(H,22,25)/t18-/m1/s1
InChIKeyOGUVYVJLENZJKN-GOSISDBHSA-N
XLogP2.81
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.81
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

(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 60565736
(3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 92711359
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25279424
(3R)-1-(4-chlorophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 95056108
3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 125151475
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110
(3S)-1-(4-ethylphenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 94079884
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92725760
1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 20964236
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46347353
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 25276752) is (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCCn1ccc2ccccc21)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is OGUVYVJLENZJKN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(18-11-14-24(21(18)26)17-7-2-1-3-8-17)22-12-15-23-13-10-16-6-4-5-9-19(16)23/h1-10,13,18H,11-12,14-15H2,(H,22,25)/t18-/m1/s1.
What are the key properties of (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-indol-1-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 25276752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).