[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate

C22H24N2O3 — CID 7723160

IUPAC[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H24N2O3/c1-13(2)17-10-7-8-14(3)20(17)24-21(25)15(4)27-22(26)19-12-16-9-5-6-11-18(16)23-19/h5-13,15,23H,1-4H3,(H,24,25)/t15-/m1/s1
InChIKeyQLTNTZMKMWPXQO-OAHLLOKOSA-N
MW364.45 g/mol
LogP4.78
Rot. Bonds5

About [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate

[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate (PubChem CID 7723160) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
PubChem CID7723160
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H24N2O3/c1-13(2)17-10-7-8-14(3)20(17)24-21(25)15(4)27-22(26)19-12-16-9-5-6-11-18(16)23-19/h5-13,15,23H,1-4H3,(H,24,25)/t15-/m1/s1
InChIKeyQLTNTZMKMWPXQO-OAHLLOKOSA-N
XLogP4.78
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate with MolForge

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Related Compounds

[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1H-indole-2-carboxylate
CID 47009903
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 43015219
[1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 43015221
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7891029
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 8815137
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 7777184
[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1H-indole-2-carboxylate
CID 7723727
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 7648436
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568140
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 9440533
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821388
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631521

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The IUPAC name of [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate (CID 7723160) is [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate.
What is the SMILES notation for [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The canonical SMILES for [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate is Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The InChIKey is QLTNTZMKMWPXQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-13(2)17-10-7-8-14(3)20(17)24-21(25)15(4)27-22(26)19-12-16-9-5-6-11-18(16)23-19/h5-13,15,23H,1-4H3,(H,24,25)/t15-/m1/s1.
What are the key properties of [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7723160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).