2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide

C22H29N3O3 — CID 97219655

IUPAC2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(CC(=O)N3CCCC3)C[C@H]3CCCO3)cc2c1C
InChIInChI=1S/C22H29N3O3/c1-15-16(2)23-20-8-7-17(12-19(15)20)22(27)25(13-18-6-5-11-28-18)14-21(26)24-9-3-4-10-24/h7-8,12,18,23H,3-6,9-11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyUJNOIARLJDPENU-GOSISDBHSA-N
MW383.49 g/mol
LogP3.03
Rot. Bonds5

About 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide

2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide (PubChem CID 97219655) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide
PubChem CID97219655
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(CC(=O)N3CCCC3)C[C@H]3CCCO3)cc2c1C
InChIInChI=1S/C22H29N3O3/c1-15-16(2)23-20-8-7-17(12-19(15)20)22(27)25(13-18-6-5-11-28-18)14-21(26)24-9-3-4-10-24/h7-8,12,18,23H,3-6,9-11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyUJNOIARLJDPENU-GOSISDBHSA-N
XLogP3.03
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 97250924
4-methoxy-3-(methylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219657
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
2-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219384
2-bromo-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219383
N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide
CID 146092937
2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid
CID 75429114
4-fluoro-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93156582
N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide
CID 18164314
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide (CID 97219655) is 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)N(CC(=O)N3CCCC3)C[C@H]3CCCO3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide?
The InChIKey is UJNOIARLJDPENU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-16(2)23-20-8-7-17(12-19(15)20)22(27)25(13-18-6-5-11-28-18)14-21(26)24-9-3-4-10-24/h7-8,12,18,23H,3-6,9-11,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 97219655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).