2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide

C23H29N3O — CID 56552524

IUPAC2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)c1ccccc1
InChIInChI=1S/C23H29N3O/c1-5-26(6-2)22(19-10-8-7-9-11-19)23(27)24-15-18-12-13-21-20(14-18)16(3)17(4)25-21/h7-14,22,25H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyAHEJUONYLCWBDR-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.48
Rot. Bonds7

About 2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide

2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide (PubChem CID 56552524) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide
PubChem CID56552524
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)c1ccccc1
InChIInChI=1S/C23H29N3O/c1-5-26(6-2)22(19-10-8-7-9-11-19)23(27)24-15-18-12-13-21-20(14-18)16(3)17(4)25-21/h7-14,22,25H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyAHEJUONYLCWBDR-UHFFFAOYSA-N
XLogP4.48
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide (CID 56552524) is 2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide is CCN(CC)C(C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide?
The InChIKey is AHEJUONYLCWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-5-26(6-2)22(19-10-8-7-9-11-19)23(27)24-15-18-12-13-21-20(14-18)16(3)17(4)25-21/h7-14,22,25H,5-6,15H2,1-4H3,(H,24,27).
What are the key properties of 2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide?
2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide has a molecular weight of 363.51 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 56552524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).