methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate

C21H20N2O4 — CID 113210863

IUPACmethyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2(c3c[nH]c4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C21H20N2O4/c1-26-15-7-8-18-16(11-15)17(12-22-18)21(9-10-21)20(25)23-14-5-3-13(4-6-14)19(24)27-2/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)
InChIKeyPCZYNVPHZOCTJQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.63
Rot. Bonds5

About methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate

methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 113210863) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
PubChem CID113210863
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namemethyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2(c3c[nH]c4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C21H20N2O4/c1-26-15-7-8-18-16(11-15)17(12-22-18)21(9-10-21)20(25)23-14-5-3-13(4-6-14)19(24)27-2/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)
InChIKeyPCZYNVPHZOCTJQ-UHFFFAOYSA-N
XLogP3.63
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
1-(5-methoxy-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113210901
N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210875
N-(2-bromo-4-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210874
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210743
N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210892
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
1-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 113210764
ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate
CID 113206116

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate (CID 113210863) is methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2(c3c[nH]c4ccc(OC)cc34)CC2)cc1.
What is the InChIKey of methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is PCZYNVPHZOCTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-15-7-8-18-16(11-15)17(12-22-18)21(9-10-21)20(25)23-14-5-3-13(4-6-14)19(24)27-2/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25).
What are the key properties of methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate?
methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 364.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 113210863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).