3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one

C23H26N2O2 — CID 20900005

IUPAC3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccccc1Cn1cc(CCC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-18-6-2-3-7-19(18)16-25-17-20(21-8-4-5-9-22(21)25)10-11-23(26)24-12-14-27-15-13-24/h2-9,17H,10-16H2,1H3
InChIKeyZQLRNWYMYUZOHX-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.79
Rot. Bonds5

About 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 20900005) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID20900005
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccccc1Cn1cc(CCC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-18-6-2-3-7-19(18)16-25-17-20(21-8-4-5-9-22(21)25)10-11-23(26)24-12-14-27-15-13-24/h2-9,17H,10-16H2,1H3
InChIKeyZQLRNWYMYUZOHX-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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Related Compounds

3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20899818
4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 22522978
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propan-1-one
CID 20899868
5-[1-[(2-methylphenyl)methyl]indol-3-yl]pentan-2-one;1,2,3-trimethylbenzene
CID 154688157
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 164781372
N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900033
1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
CID 91897411
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
CID 25031483
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
4-[1-[(2-methylphenyl)methyl]indol-3-yl]butanal
CID 154688020

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (CID 20900005) is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is Cc1ccccc1Cn1cc(CCC(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZQLRNWYMYUZOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-18-6-2-3-7-19(18)16-25-17-20(21-8-4-5-9-22(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-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[(2-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-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 20900005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).