2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide

C17H23N3O2 — CID 110849673

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
SMILESCc1ccc2[nH]c(C)c(C(=O)NCCN3CCOCC3)c2c1
InChIInChI=1S/C17H23N3O2/c1-12-3-4-15-14(11-12)16(13(2)19-15)17(21)18-5-6-20-7-9-22-10-8-20/h3-4,11,19H,5-10H2,1-2H3,(H,18,21)
InChIKeyOVJAQZCAEBDKLI-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.85
Rot. Bonds4

About 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide

2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide (PubChem CID 110849673) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
PubChem CID110849673
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
SMILESCc1ccc2[nH]c(C)c(C(=O)NCCN3CCOCC3)c2c1
InChIInChI=1S/C17H23N3O2/c1-12-3-4-15-14(11-12)16(13(2)19-15)17(21)18-5-6-20-7-9-22-10-8-20/h3-4,11,19H,5-10H2,1-2H3,(H,18,21)
InChIKeyOVJAQZCAEBDKLI-UHFFFAOYSA-N
XLogP1.85
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335283
3-[(2,5-dimethyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 110835922
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate
CID 174680738
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794566
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide (CID 110849673) is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide is Cc1ccc2[nH]c(C)c(C(=O)NCCN3CCOCC3)c2c1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
The InChIKey is OVJAQZCAEBDKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-3-4-15-14(11-12)16(13(2)19-15)17(21)18-5-6-20-7-9-22-10-8-20/h3-4,11,19H,5-10H2,1-2H3,(H,18,21).
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 110849673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).