N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide

C19H21NO2 — CID 113101431

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H21NO2/c1-14-5-7-16(8-6-14)19(21)20-11-12-22-18-10-9-15-3-2-4-17(15)13-18/h5-10,13H,2-4,11-12H2,1H3,(H,20,21)
InChIKeyCXZVKWAUMTUSHK-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide (PubChem CID 113101431) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
PubChem CID113101431
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H21NO2/c1-14-5-7-16(8-6-14)19(21)20-11-12-22-18-10-9-15-3-2-4-17(15)13-18/h5-10,13H,2-4,11-12H2,1H3,(H,20,21)
InChIKeyCXZVKWAUMTUSHK-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113101460
2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162988
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
CID 62599410
4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide
CID 51088901
5-nitro-1-N,3-N-bis[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzene-1,3-dicarboxamide
CID 3900364
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
methyl 3-[1-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylcarbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 55902895
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide (CID 113101431) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide?
The InChIKey is CXZVKWAUMTUSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-5-7-16(8-6-14)19(21)20-11-12-22-18-10-9-15-3-2-4-17(15)13-18/h5-10,13H,2-4,11-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide is sourced from PubChem (CID 113101431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).