N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide

C24H21N3O3 — CID 55564494

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c25-23(28)16-30-19-12-10-18(11-13-19)26-24(29)21-15-27(14-17-6-2-1-3-7-17)22-9-5-4-8-20(21)22/h1-13,15H,14,16H2,(H2,25,28)(H,26,29)
InChIKeyALMJRUOSZXONQE-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide (PubChem CID 55564494) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
PubChem CID55564494
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c25-23(28)16-30-19-12-10-18(11-13-19)26-24(29)21-15-27(14-17-6-2-1-3-7-17)22-9-5-4-8-20(21)22/h1-13,15H,14,16H2,(H2,25,28)(H,26,29)
InChIKeyALMJRUOSZXONQE-UHFFFAOYSA-N
XLogP3.81
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide
CID 39333465
N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
CID 129375242
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
[4-[(1-benzylindole-3-carbonyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
CID 25266330
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide
CID 26783316
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 5458107

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide (CID 55564494) is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide is NC(=O)COc1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide?
The InChIKey is ALMJRUOSZXONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c25-23(28)16-30-19-12-10-18(11-13-19)26-24(29)21-15-27(14-17-6-2-1-3-7-17)22-9-5-4-8-20(21)22/h1-13,15H,14,16H2,(H2,25,28)(H,26,29).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide is sourced from PubChem (CID 55564494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).