methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate

C20H21NO3 — CID 6737217

IUPACmethyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)CC1Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-24-20(23)19(15-7-3-2-4-8-15)21-18(22)13-14-11-16-9-5-6-10-17(16)12-14/h2-10,14,19H,11-13H2,1H3,(H,21,22)
InChIKeyFCGANYXYDHRYLS-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.82
Rot. Bonds5

About methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate

methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate (PubChem CID 6737217) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate
PubChem CID6737217
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)CC1Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-24-20(23)19(15-7-3-2-4-8-15)21-18(22)13-14-11-16-9-5-6-10-17(16)12-14/h2-10,14,19H,11-13H2,1H3,(H,21,22)
InChIKeyFCGANYXYDHRYLS-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopropylacetyl)amino]-2-phenylacetyl]amino]-2-phenylacetate
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methyl 2-(3-methylpentanoylamino)-2-phenylacetate
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methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
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methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
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methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate (CID 6737217) is methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)CC1Cc2ccccc2C1)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate?
The InChIKey is FCGANYXYDHRYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-24-20(23)19(15-7-3-2-4-8-15)21-18(22)13-14-11-16-9-5-6-10-17(16)12-14/h2-10,14,19H,11-13H2,1H3,(H,21,22).
What are the key properties of methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate?
methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate has a molecular weight of 323.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate is sourced from PubChem (CID 6737217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).