[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate

C20H18N2O5 — CID 34506353

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OCC(=O)c3ccc(NC(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C20H18N2O5/c1-12(23)21-15-6-3-13(4-7-15)19(24)11-27-20(25)18-9-14-5-8-16(26-2)10-17(14)22-18/h3-10,22H,11H2,1-2H3,(H,21,23)
InChIKeyBACNDEYAJGCMKK-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.17
Rot. Bonds6

About [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate

[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate (PubChem CID 34506353) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
PubChem CID34506353
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OCC(=O)c3ccc(NC(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C20H18N2O5/c1-12(23)21-15-6-3-13(4-7-15)19(24)11-27-20(25)18-9-14-5-8-16(26-2)10-17(14)22-18/h3-10,22H,11H2,1-2H3,(H,21,23)
InChIKeyBACNDEYAJGCMKK-UHFFFAOYSA-N
XLogP3.17
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34572910
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methoxy-1H-indole-2-carboxamide
CID 172935644
N-(5-acetamido-2-methoxyphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46445599
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34505493
N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 33379841
[1-(4-nitroanilino)-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
CID 55547042
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34503940
[2-(4-methoxyphenyl)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385740
6-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indole-2-carboxamide
CID 36545679
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015774

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate (CID 34506353) is [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate is COc1ccc2cc(C(=O)OCC(=O)c3ccc(NC(C)=O)cc3)[nH]c2c1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate?
The InChIKey is BACNDEYAJGCMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12(23)21-15-6-3-13(4-7-15)19(24)11-27-20(25)18-9-14-5-8-16(26-2)10-17(14)22-18/h3-10,22H,11H2,1-2H3,(H,21,23).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate?
[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 34506353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).