3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide

C25H32N2O2 — CID 20900039

IUPAC3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NCCCOC(C)C)c2ccccc21
InChIInChI=1S/C25H32N2O2/c1-19(2)29-16-8-15-26-25(28)14-13-22-18-27(24-12-7-6-11-23(22)24)17-21-10-5-4-9-20(21)3/h4-7,9-12,18-19H,8,13-17H2,1-3H3,(H,26,28)
InChIKeyINCGEOOPJIOURL-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.86
Rot. Bonds10

About 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 20900039) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID20900039
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NCCCOC(C)C)c2ccccc21
InChIInChI=1S/C25H32N2O2/c1-19(2)29-16-8-15-26-25(28)14-13-22-18-27(24-12-7-6-11-23(22)24)17-21-10-5-4-9-20(21)3/h4-7,9-12,18-19H,8,13-17H2,1-3H3,(H,26,28)
InChIKeyINCGEOOPJIOURL-UHFFFAOYSA-N
XLogP4.86
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 164781372
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 20900099
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 20899972
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide
CID 20899830
5-[1-[(2-methylphenyl)methyl]indol-3-yl]pentan-2-one;1,2,3-trimethylbenzene
CID 154688157
N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900096
N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900033

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide (CID 20900039) is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide is Cc1ccccc1Cn1cc(CCC(=O)NCCCOC(C)C)c2ccccc21.
What is the InChIKey of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is INCGEOOPJIOURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-19(2)29-16-8-15-26-25(28)14-13-22-18-27(24-12-7-6-11-23(22)24)17-21-10-5-4-9-20(21)3/h4-7,9-12,18-19H,8,13-17H2,1-3H3,(H,26,28).
What are the key properties of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide?
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 392.54 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 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]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 20900039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).