N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide

C24H19N3O3 — CID 9095307

IUPACN-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N3O3/c28-21(15-16-27-23(29)19-13-7-8-14-20(19)24(27)30)25-26-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,28)
InChIKeyIZBCUHOOLRKLFZ-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.24
Rot. Bonds6

About N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 9095307) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID9095307
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N3O3/c28-21(15-16-27-23(29)19-13-7-8-14-20(19)24(27)30)25-26-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,28)
InChIKeyIZBCUHOOLRKLFZ-UHFFFAOYSA-N
XLogP3.24
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide 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'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide
CID 130439754
4-(2-benzhydrylidenehydrazinyl)-4-oxobutanoic acid
CID 2063521
[5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium
CID 147032340
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 135855125
3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
CID 51074410
2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
CID 23374871
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzoic acid
CID 108767672
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 9095307) is N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is IZBCUHOOLRKLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-21(15-16-27-23(29)19-13-7-8-14-20(19)24(27)30)25-26-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,28).
What are the key properties of N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 397.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 9095307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).