[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate

C20H18N2O5 — CID 7492809

IUPAC[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H18N2O5/c1-26-19(24)14-8-6-13(7-9-14)10-22-18(23)12-27-20(25)16-11-21-17-5-3-2-4-15(16)17/h2-9,11,21H,10,12H2,1H3,(H,22,23)
InChIKeyDBNFQTTVHQUPSK-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.43
Rot. Bonds6

About [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7492809) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7492809
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H18N2O5/c1-26-19(24)14-8-6-13(7-9-14)10-22-18(23)12-27-20(25)16-11-21-17-5-3-2-4-15(16)17/h2-9,11,21H,10,12H2,1H3,(H,22,23)
InChIKeyDBNFQTTVHQUPSK-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492818
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492820
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18202739
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 18275544
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492917
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796124
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535459

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate (CID 7492809) is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate is COC(=O)c1ccc(CNC(=O)COC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is DBNFQTTVHQUPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-26-19(24)14-8-6-13(7-9-14)10-22-18(23)12-27-20(25)16-11-21-17-5-3-2-4-15(16)17/h2-9,11,21H,10,12H2,1H3,(H,22,23).
What are the key properties of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).