N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide

C21H24N2O2 — CID 4834989

IUPACN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCc1c[nH]c2cc(OC)ccc12)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-3-18(15-7-5-4-6-8-15)21(24)22-12-11-16-14-23-20-13-17(25-2)9-10-19(16)20/h4-10,13-14,18,23H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyGGNAKHXMYIEERM-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide

N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide (PubChem CID 4834989) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide
PubChem CID4834989
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCCc1c[nH]c2cc(OC)ccc12)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-3-18(15-7-5-4-6-8-15)21(24)22-12-11-16-14-23-20-13-17(25-2)9-10-19(16)20/h4-10,13-14,18,23H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyGGNAKHXMYIEERM-UHFFFAOYSA-N
XLogP4.03
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide?
The IUPAC name of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide (CID 4834989) is N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide is CCC(C(=O)NCCc1c[nH]c2cc(OC)ccc12)c1ccccc1.
What is the InChIKey of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide?
The InChIKey is GGNAKHXMYIEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-18(15-7-5-4-6-8-15)21(24)22-12-11-16-14-23-20-13-17(25-2)9-10-19(16)20/h4-10,13-14,18,23H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide?
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide has a molecular weight of 336.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 4834989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).