(3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C21H29N3O3 — CID 92613260

IUPAC(3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOCCn1c(C)c(C)c2cc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)ccc21
InChIInChI=1S/C21H29N3O3/c1-13(2)24-12-16(10-20(24)25)21(26)22-17-6-7-19-18(11-17)14(3)15(4)23(19)8-9-27-5/h6-7,11,13,16H,8-10,12H2,1-5H3,(H,22,26)/t16-/m1/s1
InChIKeyDVEDJHWXLZFPHP-MRXNPFEDSA-N
MW371.48 g/mol
LogP3.10
Rot. Bonds6

About (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 92613260) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID92613260
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOCCn1c(C)c(C)c2cc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)ccc21
InChIInChI=1S/C21H29N3O3/c1-13(2)24-12-16(10-20(24)25)21(26)22-17-6-7-19-18(11-17)14(3)15(4)23(19)8-9-27-5/h6-7,11,13,16H,8-10,12H2,1-5H3,(H,22,26)/t16-/m1/s1
InChIKeyDVEDJHWXLZFPHP-MRXNPFEDSA-N
XLogP3.10
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
(3R)-N-(3,5-dimethylphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449876
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449924
(3S)-5-oxo-1-propan-2-yl-N-(4-prop-2-enoxyphenyl)pyrrolidine-3-carboxamide
CID 7256139
dimethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 55604851
(3R)-N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373430
N-[4-[(3-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119791
(3S)-N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373432
N-(3,4-dimethylphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826759
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 92613260) is (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is COCCn1c(C)c(C)c2cc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)ccc21.
What is the InChIKey of (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DVEDJHWXLZFPHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13(2)24-12-16(10-20(24)25)21(26)22-17-6-7-19-18(11-17)14(3)15(4)23(19)8-9-27-5/h6-7,11,13,16H,8-10,12H2,1-5H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92613260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).