[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate

C20H20N2O5 — CID 9110410

IUPAC[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C20H20N2O5/c1-12(19(23)22-16-11-14(25-2)8-9-18(16)26-3)27-20(24)17-10-13-6-4-5-7-15(13)21-17/h4-12,21H,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyYPRGYTDFFSZHSX-GFCCVEGCSA-N
MW368.39 g/mol
LogP3.37
Rot. Bonds6

About [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate

[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate (PubChem CID 9110410) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
PubChem CID9110410
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C20H20N2O5/c1-12(19(23)22-16-11-14(25-2)8-9-18(16)26-3)27-20(24)17-10-13-6-4-5-7-15(13)21-17/h4-12,21H,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyYPRGYTDFFSZHSX-GFCCVEGCSA-N
XLogP3.37
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 46790872
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7466085
[1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 43015221
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 43015219
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 2629772
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723160
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 42886016
[(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-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 31459467
[1-(4-nitroanilino)-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
CID 55547042
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
CID 55546376

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The IUPAC name of [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate (CID 9110410) is [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate.
What is the SMILES notation for [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The canonical SMILES for [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate is COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3[nH]2)c1.
What is the InChIKey of [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The InChIKey is YPRGYTDFFSZHSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12(19(23)22-16-11-14(25-2)8-9-18(16)26-3)27-20(24)17-10-13-6-4-5-7-15(13)21-17/h4-12,21H,1-3H3,(H,22,23)/t12-/m1/s1.
What are the key properties of [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate is sourced from PubChem (CID 9110410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).