(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide

C25H21N3O4 — CID 41165191

IUPAC(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide
SMILESCc1ccccc1NC(=O)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C25H21N3O4/c1-16-9-5-8-14-20(16)26-23(30)22(17-10-3-2-4-11-17)27-21(29)15-28-24(31)18-12-6-7-13-19(18)25(28)32/h2-14,22H,15H2,1H3,(H,26,30)(H,27,29)/t22-/m1/s1
InChIKeyCWHKGVWDXBLWMT-JOCHJYFZSA-N
MW427.46 g/mol
LogP3.09
Rot. Bonds6

About (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide

(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide (PubChem CID 41165191) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide
PubChem CID41165191
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide
SMILESCc1ccccc1NC(=O)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C25H21N3O4/c1-16-9-5-8-14-20(16)26-23(30)22(17-10-3-2-4-11-17)27-21(29)15-28-24(31)18-12-6-7-13-19(18)25(28)32/h2-14,22H,15H2,1H3,(H,26,30)(H,27,29)/t22-/m1/s1
InChIKeyCWHKGVWDXBLWMT-JOCHJYFZSA-N
XLogP3.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide 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

(2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide
CID 7037753
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 53215949
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187
N-(2,6-dimethylphenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetamide
CID 7535563
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-[(2,2-diphenylacetyl)amino]-N-(2-methylphenyl)propanamide
CID 42702223
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate
CID 19166860
N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110664203

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide (CID 41165191) is (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide is Cc1ccccc1NC(=O)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide?
The InChIKey is CWHKGVWDXBLWMT-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-16-9-5-8-14-20(16)26-23(30)22(17-10-3-2-4-11-17)27-21(29)15-28-24(31)18-12-6-7-13-19(18)25(28)32/h2-14,22H,15H2,1H3,(H,26,30)(H,27,29)/t22-/m1/s1.
What are the key properties of (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide?
(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide has a molecular weight of 427.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 41165191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).