2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide

C19H26ClN3O2 — CID 55997245

IUPAC2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
SMILESCC1CN(CCCNC(=O)Cn2ccc3ccc(Cl)cc32)CC(C)O1
InChIInChI=1S/C19H26ClN3O2/c1-14-11-22(12-15(2)25-14)8-3-7-21-19(24)13-23-9-6-16-4-5-17(20)10-18(16)23/h4-6,9-10,14-15H,3,7-8,11-13H2,1-2H3,(H,21,24)
InChIKeyZMWYCOMMIXZXLF-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.91
Rot. Bonds6

About 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide

2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide (PubChem CID 55997245) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
PubChem CID55997245
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
SMILESCC1CN(CCCNC(=O)Cn2ccc3ccc(Cl)cc32)CC(C)O1
InChIInChI=1S/C19H26ClN3O2/c1-14-11-22(12-15(2)25-14)8-3-7-21-19(24)13-23-9-6-16-4-5-17(20)10-18(16)23/h4-6,9-10,14-15H,3,7-8,11-13H2,1-2H3,(H,21,24)
InChIKeyZMWYCOMMIXZXLF-UHFFFAOYSA-N
XLogP2.91
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide (CID 55997245) is 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide is CC1CN(CCCNC(=O)Cn2ccc3ccc(Cl)cc32)CC(C)O1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
The InChIKey is ZMWYCOMMIXZXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-14-11-22(12-15(2)25-14)8-3-7-21-19(24)13-23-9-6-16-4-5-17(20)10-18(16)23/h4-6,9-10,14-15H,3,7-8,11-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide has a molecular weight of 363.89 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide is sourced from PubChem (CID 55997245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).