ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate

C23H26N2O3 — CID 110501627

IUPACethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(C)c3cc(CC)ccc3n2CC)cc1
InChIInChI=1S/C23H26N2O3/c1-5-16-8-13-20-19(14-16)15(4)21(25(20)6-2)22(26)24-18-11-9-17(10-12-18)23(27)28-7-3/h8-14H,5-7H2,1-4H3,(H,24,26)
InChIKeyGVPXOWFVBMOJFD-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.96
Rot. Bonds6

About ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate

ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate (PubChem CID 110501627) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
PubChem CID110501627
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Nameethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(C)c3cc(CC)ccc3n2CC)cc1
InChIInChI=1S/C23H26N2O3/c1-5-16-8-13-20-19(14-16)15(4)21(25(20)6-2)22(26)24-18-11-9-17(10-12-18)23(27)28-7-3/h8-14H,5-7H2,1-4H3,(H,24,26)
InChIKeyGVPXOWFVBMOJFD-UHFFFAOYSA-N
XLogP4.96
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
3-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501677
1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide
CID 110501801
N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501681
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
N-(2-bromo-4-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501795
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501633
ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate (CID 110501627) is ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2c(C)c3cc(CC)ccc3n2CC)cc1.
What is the InChIKey of ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate?
The InChIKey is GVPXOWFVBMOJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-16-8-13-20-19(14-16)15(4)21(25(20)6-2)22(26)24-18-11-9-17(10-12-18)23(27)28-7-3/h8-14H,5-7H2,1-4H3,(H,24,26).
What are the key properties of ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate?
ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate has a molecular weight of 378.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110501627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).