2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide

C20H30N4O — CID 95563368

IUPAC2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCCc1[nH]c2ccc(CNC(=O)CN3CC[C@@H](N(C)C)C3)cc2c1C
InChIInChI=1S/C20H30N4O/c1-5-18-14(2)17-10-15(6-7-19(17)22-18)11-21-20(25)13-24-9-8-16(12-24)23(3)4/h6-7,10,16,22H,5,8-9,11-13H2,1-4H3,(H,21,25)/t16-/m1/s1
InChIKeyMQLCAZRDFACZTJ-MRXNPFEDSA-N
MW342.49 g/mol
LogP2.29
Rot. Bonds6

About 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide

2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide (PubChem CID 95563368) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
PubChem CID95563368
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCCc1[nH]c2ccc(CNC(=O)CN3CC[C@@H](N(C)C)C3)cc2c1C
InChIInChI=1S/C20H30N4O/c1-5-18-14(2)17-10-15(6-7-19(17)22-18)11-21-20(25)13-24-9-8-16(12-24)23(3)4/h6-7,10,16,22H,5,8-9,11-13H2,1-4H3,(H,21,25)/t16-/m1/s1
InChIKeyMQLCAZRDFACZTJ-MRXNPFEDSA-N
XLogP2.29
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide (CID 95563368) is 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide is CCc1[nH]c2ccc(CNC(=O)CN3CC[C@@H](N(C)C)C3)cc2c1C.
What is the InChIKey of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide?
The InChIKey is MQLCAZRDFACZTJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O/c1-5-18-14(2)17-10-15(6-7-19(17)22-18)11-21-20(25)13-24-9-8-16(12-24)23(3)4/h6-7,10,16,22H,5,8-9,11-13H2,1-4H3,(H,21,25)/t16-/m1/s1.
What are the key properties of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide?
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide has a molecular weight of 342.49 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 95563368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).