3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide

C25H31N3O2 — CID 4048962

IUPAC3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(Cn2cc(CCC(=O)NCCN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C25H31N3O2/c1-20-6-8-21(9-7-20)18-28-19-22(23-4-2-3-5-24(23)28)10-11-25(29)26-12-13-27-14-16-30-17-15-27/h2-9,19H,10-18H2,1H3,(H,26,29)
InChIKeyIVJSLSUEYLLJCZ-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.38
Rot. Bonds8

About 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 4048962) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID4048962
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(Cn2cc(CCC(=O)NCCN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C25H31N3O2/c1-20-6-8-21(9-7-20)18-28-19-22(23-4-2-3-5-24(23)28)10-11-25(29)26-12-13-27-14-16-30-17-15-27/h2-9,19H,10-18H2,1H3,(H,26,29)
InChIKeyIVJSLSUEYLLJCZ-UHFFFAOYSA-N
XLogP3.38
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
(3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92912022
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propan-1-one
CID 20899868
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98431828
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 20900094
(3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 93299629
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 4048962) is 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide is Cc1ccc(Cn2cc(CCC(=O)NCCN3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is IVJSLSUEYLLJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-20-6-8-21(9-7-20)18-28-19-22(23-4-2-3-5-24(23)28)10-11-25(29)26-12-13-27-14-16-30-17-15-27/h2-9,19H,10-18H2,1H3,(H,26,29).
What are the key properties of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 405.54 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 4048962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).