N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide

C21H24N2O — CID 71840852

IUPACN-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide
SMILESCCn1ccc2cc(CCC(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C21H24N2O/c1-3-23-14-13-19-15-17(9-11-20(19)23)10-12-21(24)22(2)16-18-7-5-4-6-8-18/h4-9,11,13-15H,3,10,12,16H2,1-2H3
InChIKeyBHBKUANOZLWLKX-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.25
Rot. Bonds6

About N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide

N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide (PubChem CID 71840852) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide
PubChem CID71840852
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide
SMILESCCn1ccc2cc(CCC(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C21H24N2O/c1-3-23-14-13-19-15-17(9-11-20(19)23)10-12-21(24)22(2)16-18-7-5-4-6-8-18/h4-9,11,13-15H,3,10,12,16H2,1-2H3
InChIKeyBHBKUANOZLWLKX-UHFFFAOYSA-N
XLogP4.25
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71819831
3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
CID 71840841
3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840847
3-(1-hexylindol-5-yl)propanoic acid
CID 20770765
N-benzyl-N-methylpentanamide
CID 4629611
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
CID 71840842
2-(1-ethylindol-5-yl)acetaldehyde
CID 115106765
3-[4-[[methyl(3-phenylpropanoyl)amino]methyl]phenyl]-2-phenylpropanoic acid
CID 23176557
N-benzyl-N-methyl-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100742012
3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 112792574
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide
CID 71830169

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide (CID 71840852) is N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide is CCn1ccc2cc(CCC(=O)N(C)Cc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide?
The InChIKey is BHBKUANOZLWLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-23-14-13-19-15-17(9-11-20(19)23)10-12-21(24)22(2)16-18-7-5-4-6-8-18/h4-9,11,13-15H,3,10,12,16H2,1-2H3.
What are the key properties of N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide?
N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide has a molecular weight of 320.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide is sourced from PubChem (CID 71840852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).