N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C24H24N2O4 — CID 24575649

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cc2)cc1
InChIInChI=1S/C24H24N2O4/c1-3-29-17-11-13-19(14-12-17)30-18-9-7-16(8-10-18)25-24(28)23-15(2)22-20(26-23)5-4-6-21(22)27/h7-14,26H,3-6H2,1-2H3,(H,25,28)
InChIKeySKYJRAAKVNQPED-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.29
Rot. Bonds6

About N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 24575649) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID24575649
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cc2)cc1
InChIInChI=1S/C24H24N2O4/c1-3-29-17-11-13-19(14-12-17)30-18-9-7-16(8-10-18)25-24(28)23-15(2)22-20(26-23)5-4-6-21(22)27/h7-14,26H,3-6H2,1-2H3,(H,25,28)
InChIKeySKYJRAAKVNQPED-UHFFFAOYSA-N
XLogP5.29
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24536546
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 39910650
3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 71938365
methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
CID 60517720
3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55840479
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31793322
N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 17485032
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 51177758
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24547658
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 24575649) is N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CCOc1ccc(Oc2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is SKYJRAAKVNQPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-29-17-11-13-19(14-12-17)30-18-9-7-16(8-10-18)25-24(28)23-15(2)22-20(26-23)5-4-6-21(22)27/h7-14,26H,3-6H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 24575649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).