(2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone

C18H24N2O2 — CID 110498751

IUPAC(2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone
SMILESCCn1c(C(=O)N2CC(C)OC(C)C2)c(C)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-5-20-16-9-7-6-8-15(16)14(4)17(20)18(21)19-10-12(2)22-13(3)11-19/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyCIHOVJOSCNFCJG-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.22
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone (PubChem CID 110498751) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone
PubChem CID110498751
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone
SMILESCCn1c(C(=O)N2CC(C)OC(C)C2)c(C)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-5-20-16-9-7-6-8-15(16)14(4)17(20)18(21)19-10-12(2)22-13(3)11-19/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyCIHOVJOSCNFCJG-UHFFFAOYSA-N
XLogP3.22
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone
CID 110499054
(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 110498748
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 18582367
(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 96997373
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
3-(2,6-dimethylmorpholine-4-carbonyl)isochromen-1-one
CID 172882133

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone (CID 110498751) is (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone is CCn1c(C(=O)N2CC(C)OC(C)C2)c(C)c2ccccc21.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone?
The InChIKey is CIHOVJOSCNFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-20-16-9-7-6-8-15(16)14(4)17(20)18(21)19-10-12(2)22-13(3)11-19/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone has a molecular weight of 300.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone is sourced from PubChem (CID 110498751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).