ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate

C19H18N2O4 — CID 113206116

IUPACethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C19H18N2O4/c1-3-25-19(23)12-4-6-13(7-5-12)21-18(22)16-11-20-17-9-8-14(24-2)10-15(16)17/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyMZJAKZKLFLGWNC-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.61
Rot. Bonds5

About ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate

ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate (PubChem CID 113206116) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate
PubChem CID113206116
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C19H18N2O4/c1-3-25-19(23)12-4-6-13(7-5-12)21-18(22)16-11-20-17-9-8-14(24-2)10-15(16)17/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyMZJAKZKLFLGWNC-UHFFFAOYSA-N
XLogP3.61
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate 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

5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206126
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831869
N-(2-ethoxyphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206077
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206131

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate (CID 113206116) is ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2c[nH]c3ccc(OC)cc23)cc1.
What is the InChIKey of ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate?
The InChIKey is MZJAKZKLFLGWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-19(23)12-4-6-13(7-5-12)21-18(22)16-11-20-17-9-8-14(24-2)10-15(16)17/h4-11,20H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate?
ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 113206116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).