N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide

C23H27N3O2 — CID 159145290

IUPACN-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide
SMILESCn1c(C(=O)CCCCCCC(=O)Nc2ccccc2N)cc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-26-20-13-9-6-10-17(20)16-21(26)22(27)14-4-2-3-5-15-23(28)25-19-12-8-7-11-18(19)24/h6-13,16H,2-5,14-15,24H2,1H3,(H,25,28)
InChIKeyKIPKVWLMVLUHET-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.92
Rot. Bonds9

About N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide

N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide (PubChem CID 159145290) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide
PubChem CID159145290
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide
SMILESCn1c(C(=O)CCCCCCC(=O)Nc2ccccc2N)cc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-26-20-13-9-6-10-17(20)16-21(26)22(27)14-4-2-3-5-15-23(28)25-19-12-8-7-11-18(19)24/h6-13,16H,2-5,14-15,24H2,1H3,(H,25,28)
InChIKeyKIPKVWLMVLUHET-UHFFFAOYSA-N
XLogP4.92
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide 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

N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide
CID 67218587
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide
CID 149460291
N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide
CID 82031878
N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
CID 61346705
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide?
The IUPAC name of N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide (CID 159145290) is N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide.
What is the SMILES notation for N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide?
The canonical SMILES for N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide is Cn1c(C(=O)CCCCCCC(=O)Nc2ccccc2N)cc2ccccc21.
What is the InChIKey of N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide?
The InChIKey is KIPKVWLMVLUHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-26-20-13-9-6-10-17(20)16-21(26)22(27)14-4-2-3-5-15-23(28)25-19-12-8-7-11-18(19)24/h6-13,16H,2-5,14-15,24H2,1H3,(H,25,28).
What are the key properties of N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide?
N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide has a molecular weight of 377.49 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide is sourced from PubChem (CID 159145290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).