6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide

C17H23N3O3 — CID 94812428

IUPAC6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NC[C@H]3CN(C)CCO3)[nH]c2c1
InChIInChI=1S/C17H23N3O3/c1-3-22-13-5-4-12-8-16(19-15(12)9-13)17(21)18-10-14-11-20(2)6-7-23-14/h4-5,8-9,14,19H,3,6-7,10-11H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyZEOSHKQGITZWEU-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.63
Rot. Bonds5

About 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide

6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 94812428) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide
PubChem CID94812428
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NC[C@H]3CN(C)CCO3)[nH]c2c1
InChIInChI=1S/C17H23N3O3/c1-3-22-13-5-4-12-8-16(19-15(12)9-13)17(21)18-10-14-11-20(2)6-7-23-14/h4-5,8-9,14,19H,3,6-7,10-11H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyZEOSHKQGITZWEU-AWEZNQCLSA-N
XLogP1.63
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]-1H-indole-2-carboxamide
CID 56719368
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-5-carboxamide
CID 136525043
6-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49093596
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-ethoxy-1H-indol-2-yl)methanone
CID 94487538
N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
6-ethoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55933092
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 39977668

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide (CID 94812428) is 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)NC[C@H]3CN(C)CCO3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is ZEOSHKQGITZWEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-22-13-5-4-12-8-16(19-15(12)9-13)17(21)18-10-14-11-20(2)6-7-23-14/h4-5,8-9,14,19H,3,6-7,10-11H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide?
6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 94812428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).