N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

C24H22N2O3 — CID 24803449

IUPACN-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1O
InChIInChI=1S/C24H22N2O3/c1-15-8-7-9-16(2)21(15)25-23(28)22-18-11-4-5-12-19(18)24(29)26(22)14-17-10-3-6-13-20(17)27/h3-13,22,27H,14H2,1-2H3,(H,25,28)
InChIKeyJNOKZDNHKVGHIB-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.34
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 24803449) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID24803449
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1O
InChIInChI=1S/C24H22N2O3/c1-15-8-7-9-16(2)21(15)25-23(28)22-18-11-4-5-12-19(18)24(29)26(22)14-17-10-3-6-13-20(17)27/h3-13,22,27H,14H2,1-2H3,(H,25,28)
InChIKeyJNOKZDNHKVGHIB-UHFFFAOYSA-N
XLogP4.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (CID 24803449) is N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is Cc1cccc(C)c1NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is JNOKZDNHKVGHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-8-7-9-16(2)21(15)25-23(28)22-18-11-4-5-12-19(18)24(29)26(22)14-17-10-3-6-13-20(17)27/h3-13,22,27H,14H2,1-2H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 24803449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).