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

C19H18N2O4 — CID 7492935

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H18N2O4/c1-24-14-6-4-5-13(9-14)10-21-18(22)12-25-19(23)16-11-20-17-8-3-2-7-15(16)17/h2-9,11,20H,10,12H2,1H3,(H,21,22)
InChIKeySUNFUQCYYLMVDB-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.65
Rot. Bonds6

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

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7492935) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7492935
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H18N2O4/c1-24-14-6-4-5-13(9-14)10-21-18(22)12-25-19(23)16-11-20-17-8-3-2-7-15(16)17/h2-9,11,20H,10,12H2,1H3,(H,21,22)
InChIKeySUNFUQCYYLMVDB-UHFFFAOYSA-N
XLogP2.65
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 27535148
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492809
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7372528
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492818
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888845
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653271
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 18078024
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471723
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 7776937

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate (CID 7492935) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate is COc1cccc(CNC(=O)COC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is SUNFUQCYYLMVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-14-6-4-5-13(9-14)10-21-18(22)12-25-19(23)16-11-20-17-8-3-2-7-15(16)17/h2-9,11,20H,10,12H2,1H3,(H,21,22).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).