N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide

C24H33N3O3 — CID 24768503

IUPACN-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1c(C(=O)C1C(C)(C)C1(C)C)cn2CCN1CCOCC1
InChIInChI=1S/C24H33N3O3/c1-16(28)25-18-7-6-8-19-20(18)17(21(29)22-23(2,3)24(22,4)5)15-27(19)10-9-26-11-13-30-14-12-26/h6-8,15,22H,9-14H2,1-5H3,(H,25,28)
InChIKeyOCDPRZTVUBXJND-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.80
Rot. Bonds6

About N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide

N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide (PubChem CID 24768503) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide
PubChem CID24768503
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1c(C(=O)C1C(C)(C)C1(C)C)cn2CCN1CCOCC1
InChIInChI=1S/C24H33N3O3/c1-16(28)25-18-7-6-8-19-20(18)17(21(29)22-23(2,3)24(22,4)5)15-27(19)10-9-26-11-13-30-14-12-26/h6-8,15,22H,9-14H2,1-5H3,(H,25,28)
InChIKeyOCDPRZTVUBXJND-UHFFFAOYSA-N
XLogP3.80
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide (CID 24768503) is N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide is CC(=O)Nc1cccc2c1c(C(=O)C1C(C)(C)C1(C)C)cn2CCN1CCOCC1.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide?
The InChIKey is OCDPRZTVUBXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16(28)25-18-7-6-8-19-20(18)17(21(29)22-23(2,3)24(22,4)5)15-27(19)10-9-26-11-13-30-14-12-26/h6-8,15,22H,9-14H2,1-5H3,(H,25,28).
What are the key properties of N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide?
N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-4-yl]acetamide is sourced from PubChem (CID 24768503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).