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

C23H28N2O — CID 20900041

IUPACN-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCCCCNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12
InChIInChI=1S/C23H28N2O/c1-3-4-15-24-23(26)14-13-20-17-25(22-12-8-7-11-21(20)22)16-19-10-6-5-9-18(19)2/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,26)
InChIKeyCYFBFVIFMKNZMY-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.85
Rot. Bonds8

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

N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide (PubChem CID 20900041) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
PubChem CID20900041
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCCCCNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12
InChIInChI=1S/C23H28N2O/c1-3-4-15-24-23(26)14-13-20-17-25(22-12-8-7-11-21(20)22)16-19-10-6-5-9-18(19)2/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,26)
InChIKeyCYFBFVIFMKNZMY-UHFFFAOYSA-N
XLogP4.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20900039
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-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
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 20899972
N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900033
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 20899970
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 20900094

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The IUPAC name of N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide (CID 20900041) is N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide.
What is the SMILES notation for N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The canonical SMILES for N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide is CCCCNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12.
What is the InChIKey of N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The InChIKey is CYFBFVIFMKNZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-3-4-15-24-23(26)14-13-20-17-25(22-12-8-7-11-21(20)22)16-19-10-6-5-9-18(19)2/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,26).
What are the key properties of N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 348.49 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 20900041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).