2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide

C21H29N3O3 — CID 91768528

IUPAC2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)NCC3COCCN(C)C3)c12
InChIInChI=1S/C21H29N3O3/c1-4-17-6-5-7-18-19(15(2)25)12-24(21(17)18)13-20(26)22-10-16-11-23(3)8-9-27-14-16/h5-7,12,16H,4,8-11,13-14H2,1-3H3,(H,22,26)
InChIKeyOFMLRJXJDLPVHV-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.10
Rot. Bonds6

About 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide

2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide (PubChem CID 91768528) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide
PubChem CID91768528
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)NCC3COCCN(C)C3)c12
InChIInChI=1S/C21H29N3O3/c1-4-17-6-5-7-18-19(15(2)25)12-24(21(17)18)13-20(26)22-10-16-11-23(3)8-9-27-14-16/h5-7,12,16H,4,8-11,13-14H2,1-3H3,(H,22,26)
InChIKeyOFMLRJXJDLPVHV-UHFFFAOYSA-N
XLogP2.10
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide?
The IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide (CID 91768528) is 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide?
The canonical SMILES for 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide is CCc1cccc2c(C(C)=O)cn(CC(=O)NCC3COCCN(C)C3)c12.
What is the InChIKey of 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide?
The InChIKey is OFMLRJXJDLPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-17-6-5-7-18-19(15(2)25)12-24(21(17)18)13-20(26)22-10-16-11-23(3)8-9-27-14-16/h5-7,12,16H,4,8-11,13-14H2,1-3H3,(H,22,26).
What are the key properties of 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide?
2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide is sourced from PubChem (CID 91768528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).