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

C18H17NO3 — CID 7762710

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H17NO3/c20-11-15-4-1-2-7-17(15)22-12-18(21)19-16-9-8-13-5-3-6-14(13)10-16/h1-2,4,7-11H,3,5-6,12H2,(H,19,21)
InChIKeyRXHXRPTUSOBYAG-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.01
Rot. Bonds5

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

N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide (PubChem CID 7762710) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide
PubChem CID7762710
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H17NO3/c20-11-15-4-1-2-7-17(15)22-12-18(21)19-16-9-8-13-5-3-6-14(13)10-16/h1-2,4,7-11H,3,5-6,12H2,(H,19,21)
InChIKeyRXHXRPTUSOBYAG-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(2-hydroxyphenoxy)acetamide
CID 78780058
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
N-[4-(azepan-1-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 9009767
2-(3-acetylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2639907
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 9354899
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 16550540
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
CID 2627640
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485363
2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7763032
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
2-(2-formylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41201936

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide (CID 7762710) is N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide is O=Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide?
The InChIKey is RXHXRPTUSOBYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-11-15-4-1-2-7-17(15)22-12-18(21)19-16-9-8-13-5-3-6-14(13)10-16/h1-2,4,7-11H,3,5-6,12H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.01, 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-(2-formylphenoxy)acetamide is sourced from PubChem (CID 7762710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).