methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate

C20H21NO3 — CID 59505461

IUPACmethyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1C)CC2
InChIInChI=1S/C20H21NO3/c1-13-5-3-4-6-15(13)12-19(22)21-18-10-9-14-7-8-16(11-17(14)18)20(23)24-2/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyDEIIIIGNRBVPHH-GOSISDBHSA-N
MW323.39 g/mol
LogP3.13
Rot. Bonds4

About methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505461) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505461
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1C)CC2
InChIInChI=1S/C20H21NO3/c1-13-5-3-4-6-15(13)12-19(22)21-18-10-9-14-7-8-16(11-17(14)18)20(23)24-2/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyDEIIIIGNRBVPHH-GOSISDBHSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59505461) is methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1C)CC2.
What is the InChIKey of methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is DEIIIIGNRBVPHH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13-5-3-4-6-15(13)12-19(22)21-18-10-9-14-7-8-16(11-17(14)18)20(23)24-2/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).