N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide

C25H28ClN3O4 — CID 70697444

IUPACN-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)CCN1CCOCC1
InChIInChI=1S/C25H28ClN3O4/c1-17-21(16-24(30)27-19-5-3-18(26)4-6-19)22-15-20(32-2)7-8-23(22)29(17)25(31)9-10-28-11-13-33-14-12-28/h3-8,15H,9-14,16H2,1-2H3,(H,27,30)
InChIKeySGVCIVBMFZGFLZ-UHFFFAOYSA-N
MW469.97 g/mol
LogP4.16
Rot. Bonds7

About N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide

N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide (PubChem CID 70697444) has the molecular formula C25H28ClN3O4 and a molecular weight of 469.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide
PubChem CID70697444
Molecular FormulaC25H28ClN3O4
Molecular Weight469.97 g/mol
Exact Mass469.18
IUPAC NameN-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)CCN1CCOCC1
InChIInChI=1S/C25H28ClN3O4/c1-17-21(16-24(30)27-19-5-3-18(26)4-6-19)22-15-20(32-2)7-8-23(22)29(17)25(31)9-10-28-11-13-33-14-12-28/h3-8,15H,9-14,16H2,1-2H3,(H,27,30)
InChIKeySGVCIVBMFZGFLZ-UHFFFAOYSA-N
XLogP4.16
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide (CID 70697444) is N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide is COc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)CCN1CCOCC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide?
The InChIKey is SGVCIVBMFZGFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4/c1-17-21(16-24(30)27-19-5-3-18(26)4-6-19)22-15-20(32-2)7-8-23(22)29(17)25(31)9-10-28-11-13-33-14-12-28/h3-8,15H,9-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide?
N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide has a molecular weight of 469.97 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide is sourced from PubChem (CID 70697444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).