[1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate

C20H18N2O4 — CID 43015221

IUPAC[1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H18N2O4/c1-12(23)15-8-4-6-10-17(15)22-19(24)13(2)26-20(25)18-11-14-7-3-5-9-16(14)21-18/h3-11,13,21H,1-2H3,(H,22,24)
InChIKeyDPDHQJBPBCSFKU-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.55
Rot. Bonds5

About [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate

[1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate (PubChem CID 43015221) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
PubChem CID43015221
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H18N2O4/c1-12(23)15-8-4-6-10-17(15)22-19(24)13(2)26-20(25)18-11-14-7-3-5-9-16(14)21-18/h3-11,13,21H,1-2H3,(H,22,24)
InChIKeyDPDHQJBPBCSFKU-UHFFFAOYSA-N
XLogP3.55
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 9110410
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 42886016
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 43015219
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723160
[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1H-indole-2-carboxylate
CID 7723727
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1H-indole-2-carboxylate
CID 47009903
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8735820
[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
CID 17417404
[1-(2-acetylanilino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 46619801
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7466085
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 41323939
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723076

Frequently Asked Questions

What is the IUPAC name of [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The IUPAC name of [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate (CID 43015221) is [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate.
What is the SMILES notation for [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The canonical SMILES for [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate is CC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The InChIKey is DPDHQJBPBCSFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12(23)15-8-4-6-10-17(15)22-19(24)13(2)26-20(25)18-11-14-7-3-5-9-16(14)21-18/h3-11,13,21H,1-2H3,(H,22,24).
What are the key properties of [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
[1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate is sourced from PubChem (CID 43015221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).