N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C23H28N2O4 — CID 71144572

IUPACN-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H28N2O4/c1-16-13-18-7-5-6-8-19(18)25(16)12-11-24-22(26)10-9-17-14-20(27-2)23(29-4)21(15-17)28-3/h5-8,13-15H,9-12H2,1-4H3,(H,24,26)
InChIKeyAEFSGRXEYIKSPI-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.72
Rot. Bonds9

About N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 71144572) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID71144572
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H28N2O4/c1-16-13-18-7-5-6-8-19(18)25(16)12-11-24-22(26)10-9-17-14-20(27-2)23(29-4)21(15-17)28-3/h5-8,13-15H,9-12H2,1-4H3,(H,24,26)
InChIKeyAEFSGRXEYIKSPI-UHFFFAOYSA-N
XLogP3.72
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 71144572) is N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is AEFSGRXEYIKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-13-18-7-5-6-8-19(18)25(16)12-11-24-22(26)10-9-17-14-20(27-2)23(29-4)21(15-17)28-3/h5-8,13-15H,9-12H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 71144572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).