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

C26H33N3O2 — CID 46274643

IUPAC3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C26H33N3O2/c1-21-7-2-3-8-22(21)19-29-20-23(24-9-4-5-10-25(24)29)11-12-26(30)27-13-6-14-28-15-17-31-18-16-28/h2-5,7-10,20H,6,11-19H2,1H3,(H,27,30)
InChIKeyCOYKSYZETPNGII-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.77
Rot. Bonds9

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

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 46274643) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID46274643
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C26H33N3O2/c1-21-7-2-3-8-22(21)19-29-20-23(24-9-4-5-10-25(24)29)11-12-26(30)27-13-6-14-28-15-17-31-18-16-28/h2-5,7-10,20H,6,11-19H2,1H3,(H,27,30)
InChIKeyCOYKSYZETPNGII-UHFFFAOYSA-N
XLogP3.77
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4048962
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20900005
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20900039
2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 30559058
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 92721951
N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 164781372
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 92721949
4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 22522978

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 46274643) is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is Cc1ccccc1Cn1cc(CCC(=O)NCCCN2CCOCC2)c2ccccc21.
What is the InChIKey of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is COYKSYZETPNGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-21-7-2-3-8-22(21)19-29-20-23(24-9-4-5-10-25(24)29)11-12-26(30)27-13-6-14-28-15-17-31-18-16-28/h2-5,7-10,20H,6,11-19H2,1H3,(H,27,30).
What are the key properties of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 419.57 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 46274643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).