N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide

C13H16N2O4 — CID 125304874

IUPACN-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)c(O)n2O
InChIInChI=1S/C13H16N2O4/c1-8(16)14-6-5-10-11-7-9(19-2)3-4-12(11)15(18)13(10)17/h3-4,7,17-18H,5-6H2,1-2H3,(H,14,16)
InChIKeySNVNWWFXFGNIPS-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.27
Rot. Bonds4

About N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide

N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide (PubChem CID 125304874) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
PubChem CID125304874
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)c(O)n2O
InChIInChI=1S/C13H16N2O4/c1-8(16)14-6-5-10-11-7-9(19-2)3-4-12(11)15(18)13(10)17/h3-4,7,17-18H,5-6H2,1-2H3,(H,14,16)
InChIKeySNVNWWFXFGNIPS-UHFFFAOYSA-N
XLogP1.27
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
CID 19082416
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate
CID 162470818
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide
CID 162686325

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide (CID 125304874) is N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide is COc1ccc2c(c1)c(CCNC(C)=O)c(O)n2O.
What is the InChIKey of N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide?
The InChIKey is SNVNWWFXFGNIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)14-6-5-10-11-7-9(19-2)3-4-12(11)15(18)13(10)17/h3-4,7,17-18H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide?
N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 125304874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).