N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H15N3O3 — CID 110664203

IUPACN-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(C(C#N)NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H15N3O3/c1-12-6-8-13(9-7-12)16(10-20)21-17(23)11-22-18(24)14-4-2-3-5-15(14)19(22)25/h2-9,16H,11H2,1H3,(H,21,23)
InChIKeyZOXDNPBGFSUVST-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.97
Rot. Bonds4

About N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 110664203) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID110664203
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(C(C#N)NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H15N3O3/c1-12-6-8-13(9-7-12)16(10-20)21-17(23)11-22-18(24)14-4-2-3-5-15(14)19(22)25/h2-9,16H,11H2,1H3,(H,21,23)
InChIKeyZOXDNPBGFSUVST-UHFFFAOYSA-N
XLogP1.97
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide 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

2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
1-[cyano-(4-methylphenyl)methyl]-3-propan-2-ylurea
CID 110664273
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate
CID 19166860
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 53215949
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 110664203) is N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc(C(C#N)NC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is ZOXDNPBGFSUVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-6-8-13(9-7-12)16(10-20)21-17(23)11-22-18(24)14-4-2-3-5-15(14)19(22)25/h2-9,16H,11H2,1H3,(H,21,23).
What are the key properties of N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 333.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 110664203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).