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

C23H26N2O2 — CID 25031853

IUPAC3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(Cn2cc(CCC(=O)N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C23H26N2O2/c1-18-6-8-19(9-7-18)16-25-17-20(21-4-2-3-5-22(21)25)10-11-23(26)24-12-14-27-15-13-24/h2-9,17H,10-16H2,1H3
InChIKeyFFZDXZFHHALQDO-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.79
Rot. Bonds5

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

3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 25031853) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID25031853
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(Cn2cc(CCC(=O)N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C23H26N2O2/c1-18-6-8-19(9-7-18)16-25-17-20(21-4-2-3-5-22(21)25)10-11-23(26)24-12-14-27-15-13-24/h2-9,17H,10-16H2,1H3
InChIKeyFFZDXZFHHALQDO-UHFFFAOYSA-N
XLogP3.79
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (CID 25031853) is 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is Cc1ccc(Cn2cc(CCC(=O)N3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is FFZDXZFHHALQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-18-6-8-19(9-7-18)16-25-17-20(21-4-2-3-5-22(21)25)10-11-23(26)24-12-14-27-15-13-24/h2-9,17H,10-16H2,1H3.
What are the key properties of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 362.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 25031853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).