N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide

C18H19NO3 — CID 2710612

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H19NO3/c1-21-16-7-9-17(10-8-16)22-12-18(20)19-15-6-5-13-3-2-4-14(13)11-15/h5-11H,2-4,12H2,1H3,(H,19,20)
InChIKeySSQLZZSGPVECIB-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.20
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 2710612) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID2710612
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H19NO3/c1-21-16-7-9-17(10-8-16)22-12-18(20)19-15-6-5-13-3-2-4-14(13)11-15/h5-11H,2-4,12H2,1H3,(H,19,20)
InChIKeySSQLZZSGPVECIB-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide (CID 2710612) is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is SSQLZZSGPVECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-16-7-9-17(10-8-16)22-12-18(20)19-15-6-5-13-3-2-4-14(13)11-15/h5-11H,2-4,12H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 297.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 2710612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).