N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide

C14H18N2O2 — CID 60652678

IUPACN-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CCO)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-16(8-9-17)14(18)7-6-11-10-15-13-5-3-2-4-12(11)13/h2-5,10,15,17H,6-9H2,1H3
InChIKeyZNRICQBYRWHKHO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.55
Rot. Bonds5

About N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide

N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 60652678) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID60652678
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CCO)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-16(8-9-17)14(18)7-6-11-10-15-13-5-3-2-4-12(11)13/h2-5,10,15,17H,6-9H2,1H3
InChIKeyZNRICQBYRWHKHO-UHFFFAOYSA-N
XLogP1.55
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 134127501
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
3-(1H-indol-3-yl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 42951930
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910812

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide (CID 60652678) is N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide is CN(CCO)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is ZNRICQBYRWHKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(8-9-17)14(18)7-6-11-10-15-13-5-3-2-4-12(11)13/h2-5,10,15,17H,6-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 60652678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).