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

C23H21N3O2 — CID 24574939

IUPACN-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NN=C(c2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C23H21N3O2/c1-15-20-18(13-8-14-19(20)27)24-21(15)23(28)26-25-22(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,24H,8,13-14H2,1H3,(H,26,28)
InChIKeyUKDKYEQALLOKEI-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.02
Rot. Bonds4

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

N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 24574939) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID24574939
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NN=C(c2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C23H21N3O2/c1-15-20-18(13-8-14-19(20)27)24-21(15)23(28)26-25-22(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,24H,8,13-14H2,1H3,(H,26,28)
InChIKeyUKDKYEQALLOKEI-UHFFFAOYSA-N
XLogP4.02
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 24574939) is N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NN=C(c2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is UKDKYEQALLOKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-20-18(13-8-14-19(20)27)24-21(15)23(28)26-25-22(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,24H,8,13-14H2,1H3,(H,26,28).
What are the key properties of N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 24574939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).