4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one

C24H28N2O2 — CID 22522961

IUPAC4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one
SMILESCc1ccc(Cn2cc(CCCC(=O)N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C24H28N2O2/c1-19-9-11-20(12-10-19)17-26-18-21(22-6-2-3-7-23(22)26)5-4-8-24(27)25-13-15-28-16-14-25/h2-3,6-7,9-12,18H,4-5,8,13-17H2,1H3
InChIKeyOXCIXSCOVFKBKC-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.18
Rot. Bonds6

About 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one

4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one (PubChem CID 22522961) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one
PubChem CID22522961
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one
SMILESCc1ccc(Cn2cc(CCCC(=O)N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C24H28N2O2/c1-19-9-11-20(12-10-19)17-26-18-21(22-6-2-3-7-23(22)26)5-4-8-24(27)25-13-15-28-16-14-25/h2-3,6-7,9-12,18H,4-5,8,13-17H2,1H3
InChIKeyOXCIXSCOVFKBKC-UHFFFAOYSA-N
XLogP4.18
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one (CID 22522961) is 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one is Cc1ccc(Cn2cc(CCCC(=O)N3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one?
The InChIKey is OXCIXSCOVFKBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-19-9-11-20(12-10-19)17-26-18-21(22-6-2-3-7-23(22)26)5-4-8-24(27)25-13-15-28-16-14-25/h2-3,6-7,9-12,18H,4-5,8,13-17H2,1H3.
What are the key properties of 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one?
4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one has a molecular weight of 376.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 22522961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).