N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide

C20H22N2O3 — CID 110890145

IUPACN-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)N(CCO)Cc3ccccc3)c2c1
InChIInChI=1S/C20H22N2O3/c1-25-17-7-8-19-18(12-17)16(13-21-19)11-20(24)22(9-10-23)14-15-5-3-2-4-6-15/h2-8,12-13,21,23H,9-11,14H2,1H3
InChIKeyRTNISDVWKSZXNQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.74
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide

N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 110890145) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID110890145
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)N(CCO)Cc3ccccc3)c2c1
InChIInChI=1S/C20H22N2O3/c1-25-17-7-8-19-18(12-17)16(13-21-19)11-20(24)22(9-10-23)14-15-5-3-2-4-6-15/h2-8,12-13,21,23H,9-11,14H2,1H3
InChIKeyRTNISDVWKSZXNQ-UHFFFAOYSA-N
XLogP2.74
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
N-ethyl-2-(5-methoxy-1H-indol-3-yl)-N-phenylacetamide
CID 86985638
2-(5-methoxy-1H-indol-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 78872752
2-(5-chloro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75435791
2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 42656999
N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide
CID 42695765
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
CID 113206541
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 95598350
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110910870

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 110890145) is N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)N(CCO)Cc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is RTNISDVWKSZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-17-7-8-19-18(12-17)16(13-21-19)11-20(24)22(9-10-23)14-15-5-3-2-4-6-15/h2-8,12-13,21,23H,9-11,14H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110890145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).