2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide

C26H24N2O3 — CID 1212261

IUPAC2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1(c2ccc(N(C)C)cc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H24N2O3/c1-17-8-4-7-11-22(17)27-23(29)16-26(18-12-14-19(15-13-18)28(2)3)24(30)20-9-5-6-10-21(20)25(26)31/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyOOZZSGIVEYARMC-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.41
Rot. Bonds5

About 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide

2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 1212261) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID1212261
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1(c2ccc(N(C)C)cc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H24N2O3/c1-17-8-4-7-11-22(17)27-23(29)16-26(18-12-14-19(15-13-18)28(2)3)24(30)20-9-5-6-10-21(20)25(26)31/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyOOZZSGIVEYARMC-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide (CID 1212261) is 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CC1(c2ccc(N(C)C)cc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is OOZZSGIVEYARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-8-4-7-11-22(17)27-23(29)16-26(18-12-14-19(15-13-18)28(2)3)24(30)20-9-5-6-10-21(20)25(26)31/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide?
2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]-1,3-dioxoinden-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1212261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).