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

C21H24N2O2 — CID 134054534

IUPAC3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O2/c1-15(17-8-5-7-11-20(17)25-3)23(2)21(24)13-12-16-14-22-19-10-6-4-9-18(16)19/h4-11,14-15,22H,12-13H2,1-3H3
InChIKeyMOOAKNOKXGYCPD-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.33
Rot. Bonds6

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

3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 134054534) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID134054534
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O2/c1-15(17-8-5-7-11-20(17)25-3)23(2)21(24)13-12-16-14-22-19-10-6-4-9-18(16)19/h4-11,14-15,22H,12-13H2,1-3H3
InChIKeyMOOAKNOKXGYCPD-UHFFFAOYSA-N
XLogP4.33
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974
3-(1H-indol-3-yl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 42951930
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 2552209
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 26355956
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
3-amino-N-[2-anilino-1-(2-methoxyphenyl)-2-oxoethyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 24956532

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide (CID 134054534) is 3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide is COc1ccccc1C(C)N(C)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is MOOAKNOKXGYCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(17-8-5-7-11-20(17)25-3)23(2)21(24)13-12-16-14-22-19-10-6-4-9-18(16)19/h4-11,14-15,22H,12-13H2,1-3H3.
What are the key properties of 3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide?
3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 134054534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).