N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C13H16N2O3 — CID 22144617

IUPACN-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCN(O)C(C)=O)c2c1
InChIInChI=1S/C13H16N2O3/c1-9(16)15(17)6-5-10-8-14-13-4-3-11(18-2)7-12(10)13/h3-4,7-8,14,17H,5-6H2,1-2H3
InChIKeyYXIZRNCVIGZFMA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.96
Rot. Bonds4

About N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 22144617) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID22144617
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCN(O)C(C)=O)c2c1
InChIInChI=1S/C13H16N2O3/c1-9(16)15(17)6-5-10-8-14-13-4-3-11(18-2)7-12(10)13/h3-4,7-8,14,17H,5-6H2,1-2H3
InChIKeyYXIZRNCVIGZFMA-UHFFFAOYSA-N
XLogP1.96
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 19042892
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 22144617) is N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCN(O)C(C)=O)c2c1.
What is the InChIKey of N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is YXIZRNCVIGZFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)15(17)6-5-10-8-14-13-4-3-11(18-2)7-12(10)13/h3-4,7-8,14,17H,5-6H2,1-2H3.
What are the key properties of N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 22144617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).