N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide

C17H23N3O2 — CID 18582367

IUPACN-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCCn1cc(NC(=O)N2CC(C)OC(C)C2)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-4-19-11-15(14-7-5-6-8-16(14)19)18-17(21)20-9-12(2)22-13(3)10-20/h5-8,11-13H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyKFHGXUFCFBOELU-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.30
Rot. Bonds2

About N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide

N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 18582367) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID18582367
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCCn1cc(NC(=O)N2CC(C)OC(C)C2)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-4-19-11-15(14-7-5-6-8-16(14)19)18-17(21)20-9-12(2)22-13(3)10-20/h5-8,11-13H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyKFHGXUFCFBOELU-UHFFFAOYSA-N
XLogP3.30
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 96997373
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679
2,6-dimethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
CID 23604703
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577965
3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea
CID 40519593
1-(2,3-dimethylphenyl)-3-(1-ethylindol-3-yl)urea
CID 40519720
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide (CID 18582367) is N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide is CCn1cc(NC(=O)N2CC(C)OC(C)C2)c2ccccc21.
What is the InChIKey of N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is KFHGXUFCFBOELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-19-11-15(14-7-5-6-8-16(14)19)18-17(21)20-9-12(2)22-13(3)10-20/h5-8,11-13H,4,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide?
N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 18582367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).