2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide

C21H24N2O2 — CID 113208953

IUPAC2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O2/c1-21(2,17-14-23-18-10-6-5-9-16(17)18)20(24)22-13-12-15-8-4-7-11-19(15)25-3/h4-11,14,23H,12-13H2,1-3H3,(H,22,24)
InChIKeyBIXCHEPPBVTQQZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.81
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide

2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 113208953) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID113208953
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O2/c1-21(2,17-14-23-18-10-6-5-9-16(17)18)20(24)22-13-12-15-8-4-7-11-19(15)25-3/h4-11,14,23H,12-13H2,1-3H3,(H,22,24)
InChIKeyBIXCHEPPBVTQQZ-UHFFFAOYSA-N
XLogP3.81
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197369
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110996658
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113208983
2-(5-methoxy-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113210171
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209063
N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964149

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide (CID 113208953) is 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide is COc1ccccc1CCNC(=O)C(C)(C)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is BIXCHEPPBVTQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2,17-14-23-18-10-6-5-9-16(17)18)20(24)22-13-12-15-8-4-7-11-19(15)25-3/h4-11,14,23H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113208953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).