N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide

C21H24N2O — CID 4887123

IUPACN-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCc1c[nH]c2ccc(C)cc12)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-3-18(16-7-5-4-6-8-16)21(24)22-12-11-17-14-23-20-10-9-15(2)13-19(17)20/h4-10,13-14,18,23H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyKAPDNUXJGFUHEW-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.33
Rot. Bonds6

About N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide (PubChem CID 4887123) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide
PubChem CID4887123
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCc1c[nH]c2ccc(C)cc12)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-3-18(16-7-5-4-6-8-16)21(24)22-12-11-17-14-23-20-10-9-15(2)13-19(17)20/h4-10,13-14,18,23H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyKAPDNUXJGFUHEW-UHFFFAOYSA-N
XLogP4.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide?
The IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide (CID 4887123) is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide is CCC(C(=O)NCCc1c[nH]c2ccc(C)cc12)c1ccccc1.
What is the InChIKey of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide?
The InChIKey is KAPDNUXJGFUHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-18(16-7-5-4-6-8-16)21(24)22-12-11-17-14-23-20-10-9-15(2)13-19(17)20/h4-10,13-14,18,23H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide?
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide has a molecular weight of 320.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 4887123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).