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

C13H16N2O3 — CID 20608252

IUPACN-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)CC(=O)N2CCNC(C)=O
InChIInChI=1S/C13H16N2O3/c1-9(16)14-5-6-15-12-4-3-11(18-2)7-10(12)8-13(15)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyRLGUOOGIRPJSIK-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.72
Rot. Bonds4

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

N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide (PubChem CID 20608252) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide
PubChem CID20608252
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)CC(=O)N2CCNC(C)=O
InChIInChI=1S/C13H16N2O3/c1-9(16)14-5-6-15-12-4-3-11(18-2)7-10(12)8-13(15)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyRLGUOOGIRPJSIK-UHFFFAOYSA-N
XLogP0.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 143541163
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid;propane
CID 143541157
1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one
CID 23363964
N-[2-(7-methoxy-4,5-dihydrobenzo[g]indol-1-yl)ethyl]acetamide
CID 19036463
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
1-(4-bromobutyl)-6-methoxy-3,4-dihydroquinolin-2-one
CID 67152877
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
2-(7-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid
CID 165350864
methyl 2-(5-methyl-2-oxo-3H-indol-1-yl)acetate
CID 58828801
methyl 4-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]butanoate
CID 115233425

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide (CID 20608252) is N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide is COc1ccc2c(c1)CC(=O)N2CCNC(C)=O.
What is the InChIKey of N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide?
The InChIKey is RLGUOOGIRPJSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)14-5-6-15-12-4-3-11(18-2)7-10(12)8-13(15)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide?
N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide is sourced from PubChem (CID 20608252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).