2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid

C20H21NO3 — CID 167813182

IUPAC2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCCc1cccc(CC(=O)NC2Cc3ccccc3C2C(=O)O)c1
InChIInChI=1S/C20H21NO3/c1-2-13-6-5-7-14(10-13)11-18(22)21-17-12-15-8-3-4-9-16(15)19(17)20(23)24/h3-10,17,19H,2,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyXBSPNCFTHRWYHS-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.70
Rot. Bonds5

About 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid

2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 167813182) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID167813182
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCCc1cccc(CC(=O)NC2Cc3ccccc3C2C(=O)O)c1
InChIInChI=1S/C20H21NO3/c1-2-13-6-5-7-14(10-13)11-18(22)21-17-12-15-8-3-4-9-16(15)19(17)20(23)24/h3-10,17,19H,2,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyXBSPNCFTHRWYHS-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 167813182) is 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid is CCc1cccc(CC(=O)NC2Cc3ccccc3C2C(=O)O)c1.
What is the InChIKey of 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is XBSPNCFTHRWYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-13-6-5-7-14(10-13)11-18(22)21-17-12-15-8-3-4-9-16(15)19(17)20(23)24/h3-10,17,19H,2,11-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 167813182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).