N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide

C20H22N2O — CID 16574540

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N2O/c1-15-6-8-16(9-7-15)10-11-20(23)21-13-12-17-14-22-19-5-3-2-4-18(17)19/h2-9,14,22H,10-13H2,1H3,(H,21,23)
InChIKeyWEWNSNKHCQTDKX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide

N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 16574540) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID16574540
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N2O/c1-15-6-8-16(9-7-15)10-11-20(23)21-13-12-17-14-22-19-5-3-2-4-18(17)19/h2-9,14,22H,10-13H2,1H3,(H,21,23)
InChIKeyWEWNSNKHCQTDKX-UHFFFAOYSA-N
XLogP3.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108961978
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 55570240
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
N-[2-(1H-indol-3-yl)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679216
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide (CID 16574540) is N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is WEWNSNKHCQTDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-6-8-16(9-7-15)10-11-20(23)21-13-12-17-14-22-19-5-3-2-4-18(17)19/h2-9,14,22H,10-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 16574540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).