2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide

C19H14N2O3 — CID 51332748

IUPAC2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NCC#Cc3ccccc3)cc2C1=O
InChIInChI=1S/C19H14N2O3/c1-21-18(23)15-10-9-14(12-16(15)19(21)24)17(22)20-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,11H2,1H3,(H,20,22)
InChIKeyRTLNCUQQKLMUNM-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.69
Rot. Bonds2

About 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide

2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide (PubChem CID 51332748) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide
PubChem CID51332748
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NCC#Cc3ccccc3)cc2C1=O
InChIInChI=1S/C19H14N2O3/c1-21-18(23)15-10-9-14(12-16(15)19(21)24)17(22)20-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,11H2,1H3,(H,20,22)
InChIKeyRTLNCUQQKLMUNM-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide 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-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46679781
2-methyl-1,3-dioxo-N-[(1-phenylcyclopentyl)methyl]isoindole-5-carboxamide
CID 24586290
N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119628263
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
2-methyl-N-[[5-[[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]-3,6-dioxopiperazin-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211204
2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46536752
3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
CID 51332394
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide?
The IUPAC name of 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide (CID 51332748) is 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide?
The canonical SMILES for 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)NCC#Cc3ccccc3)cc2C1=O.
What is the InChIKey of 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide?
The InChIKey is RTLNCUQQKLMUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-21-18(23)15-10-9-14(12-16(15)19(21)24)17(22)20-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,11H2,1H3,(H,20,22).
What are the key properties of 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide?
2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide is sourced from PubChem (CID 51332748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).