N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide

C21H24N2O2 — CID 10088388

IUPACN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c(-c2ccccc2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C21H24N2O2/c1-3-7-20(24)22-13-12-17-18-14-16(25-2)10-11-19(18)23-21(17)15-8-5-4-6-9-15/h4-6,8-11,14,23H,3,7,12-13H2,1-2H3,(H,22,24)
InChIKeyPKHOJJFCHHLNMB-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide

N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide (PubChem CID 10088388) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide
PubChem CID10088388
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c(-c2ccccc2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C21H24N2O2/c1-3-7-20(24)22-13-12-17-18-14-16(25-2)10-11-19(18)23-21(17)15-8-5-4-6-9-15/h4-6,8-11,14,23H,3,7,12-13H2,1-2H3,(H,22,24)
InChIKeyPKHOJJFCHHLNMB-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide?
The IUPAC name of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide (CID 10088388) is N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide is CCCC(=O)NCCc1c(-c2ccccc2)[nH]c2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide?
The InChIKey is PKHOJJFCHHLNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-7-20(24)22-13-12-17-18-14-16(25-2)10-11-19(18)23-21(17)15-8-5-4-6-9-15/h4-6,8-11,14,23H,3,7,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide?
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide has a molecular weight of 336.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide is sourced from PubChem (CID 10088388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).