N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C22H27N3O3 — CID 171350472

IUPACN-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CCC2)C(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-3-4-11-17(21(27)23-15-9-6-5-7-10-15)25-22(28)20-14(2)19-16(24-20)12-8-13-18(19)26/h5-7,9-10,17,24H,3-4,8,11-13H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyGGAKQPXRGVCMAP-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.77
Rot. Bonds7

About N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 171350472) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID171350472
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CCC2)C(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-3-4-11-17(21(27)23-15-9-6-5-7-10-15)25-22(28)20-14(2)19-16(24-20)12-8-13-18(19)26/h5-7,9-10,17,24H,3-4,8,11-13H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyGGAKQPXRGVCMAP-UHFFFAOYSA-N
XLogP3.77
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 171350472) is N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CCC2)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is GGAKQPXRGVCMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-4-11-17(21(27)23-15-9-6-5-7-10-15)25-22(28)20-14(2)19-16(24-20)12-8-13-18(19)26/h5-7,9-10,17,24H,3-4,8,11-13H2,1-2H3,(H,23,27)(H,25,28).
What are the key properties of N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxohexan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 171350472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).