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

C13H18N2O2 — CID 10130872

IUPACN-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)CN2
InChIInChI=1S/C13H18N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyOUAWCMICRONCAO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.73
Rot. Bonds4

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

N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide (PubChem CID 10130872) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
PubChem CID10130872
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)CN2
InChIInChI=1S/C13H18N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyOUAWCMICRONCAO-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide (CID 10130872) is N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide is COc1ccc2c(c1)C(CCNC(C)=O)CN2.
What is the InChIKey of N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is OUAWCMICRONCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 10130872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).