N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide

C13H16N2O4 — CID 141410610

IUPACN-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)NC(=O)C2(O)CCNC(C)=O
InChIInChI=1S/C13H16N2O4/c1-8(16)14-6-5-13(18)10-4-3-9(19-2)7-11(10)15-12(13)17/h3-4,7,18H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJPNXWNDFHKYHFY-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.36
Rot. Bonds4

About N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide

N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide (PubChem CID 141410610) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide
PubChem CID141410610
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)NC(=O)C2(O)CCNC(C)=O
InChIInChI=1S/C13H16N2O4/c1-8(16)14-6-5-13(18)10-4-3-9(19-2)7-11(10)15-12(13)17/h3-4,7,18H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJPNXWNDFHKYHFY-UHFFFAOYSA-N
XLogP0.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84721821
methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoate
CID 14903574
1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 171359661
(3R)-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39890045
N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide
CID 69167635
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide (CID 141410610) is N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide is COc1ccc2c(c1)NC(=O)C2(O)CCNC(C)=O.
What is the InChIKey of N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is JPNXWNDFHKYHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)14-6-5-13(18)10-4-3-9(19-2)7-11(10)15-12(13)17/h3-4,7,18H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide?
N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-6-methoxy-2-oxo-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 141410610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).