N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide

C13H18N2O3 — CID 131769936

IUPACN-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(O)(CCNC(C)=O)CN2
InChIInChI=1S/C13H18N2O3/c1-9(16)14-6-5-13(17)8-15-12-4-3-10(18-2)7-11(12)13/h3-4,7,15,17H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyDWMWOUAIGKAJNF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.83
Rot. Bonds4

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

N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide (PubChem CID 131769936) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide
PubChem CID131769936
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(O)(CCNC(C)=O)CN2
InChIInChI=1S/C13H18N2O3/c1-9(16)14-6-5-13(17)8-15-12-4-3-10(18-2)7-11(12)13/h3-4,7,15,17H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyDWMWOUAIGKAJNF-UHFFFAOYSA-N
XLogP0.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide (CID 131769936) is N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide is COc1ccc2c(c1)C(O)(CCNC(C)=O)CN2.
What is the InChIKey of N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide?
The InChIKey is DWMWOUAIGKAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(16)14-6-5-13(17)8-15-12-4-3-10(18-2)7-11(12)13/h3-4,7,15,17H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide?
N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.83, 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-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 131769936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).