2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate

C29H41N3O5 — CID 11569778

IUPAC2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate
SMILESCC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3c(C(=O)OCCN4CCOCC4)cccc23)C1(C)C
InChIInChI=1S/C29H41N3O5/c1-28(2)26(29(28,3)4)25(33)23-20-32(9-8-30-10-15-35-16-11-30)24-21(23)6-5-7-22(24)27(34)37-19-14-31-12-17-36-18-13-31/h5-7,20,26H,8-19H2,1-4H3
InChIKeySQVULLNHMLRVEY-UHFFFAOYSA-N
MW511.66 g/mol
LogP3.33
Rot. Bonds9

About 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate

2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate (PubChem CID 11569778) has the molecular formula C29H41N3O5 and a molecular weight of 511.66 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate
PubChem CID11569778
Molecular FormulaC29H41N3O5
Molecular Weight511.66 g/mol
Exact Mass511.30
IUPAC Name2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate
SMILESCC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3c(C(=O)OCCN4CCOCC4)cccc23)C1(C)C
InChIInChI=1S/C29H41N3O5/c1-28(2)26(29(28,3)4)25(33)23-20-32(9-8-30-10-15-35-16-11-30)24-21(23)6-5-7-22(24)27(34)37-19-14-31-12-17-36-18-13-31/h5-7,20,26H,8-19H2,1-4H3
InChIKeySQVULLNHMLRVEY-UHFFFAOYSA-N
XLogP3.33
TPSA73.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.66
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride
CID 138398636
7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
CID 67255185
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18967
2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate
CID 171343955
[1-(oxan-4-ylmethyl)-7-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11546775
2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate
CID 68605488
2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 57205896
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152
3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
CID 112612211
[1-(2-morpholin-4-ylethyl)indol-3-yl]-spiro[2.5]octan-2-ylmethanone
CID 45486239
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate (CID 11569778) is 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate is CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3c(C(=O)OCCN4CCOCC4)cccc23)C1(C)C.
What is the InChIKey of 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate?
The InChIKey is SQVULLNHMLRVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O5/c1-28(2)26(29(28,3)4)25(33)23-20-32(9-8-30-10-15-35-16-11-30)24-21(23)6-5-7-22(24)27(34)37-19-14-31-12-17-36-18-13-31/h5-7,20,26H,8-19H2,1-4H3.
What are the key properties of 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate?
2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate has a molecular weight of 511.66 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate is sourced from PubChem (CID 11569778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).