2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide

C28H25N3O2 — CID 91669221

IUPAC2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide
SMILESCN(C)c1ccc(C(C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C28H25N3O2/c1-31(2)22-15-13-19(14-16-22)25(28(32)30-33)26-23-9-5-6-10-24(23)29-27(26)21-12-11-18-7-3-4-8-20(18)17-21/h3-17,25,29,33H,1-2H3,(H,30,32)
InChIKeyLGUOLMWNINGBSE-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.69
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide

2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide (PubChem CID 91669221) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide
PubChem CID91669221
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide
SMILESCN(C)c1ccc(C(C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C28H25N3O2/c1-31(2)22-15-13-19(14-16-22)25(28(32)30-33)26-23-9-5-6-10-24(23)29-27(26)21-12-11-18-7-3-4-8-20(18)17-21/h3-17,25,29,33H,1-2H3,(H,30,32)
InChIKeyLGUOLMWNINGBSE-UHFFFAOYSA-N
XLogP5.69
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide (CID 91669221) is 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide is CN(C)c1ccc(C(C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide?
The InChIKey is LGUOLMWNINGBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-31(2)22-15-13-19(14-16-22)25(28(32)30-33)26-23-9-5-6-10-24(23)29-27(26)21-12-11-18-7-3-4-8-20(18)17-21/h3-17,25,29,33H,1-2H3,(H,30,32).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide?
2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide has a molecular weight of 435.53 g/mol, XLogP of 5.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-hydroxy-2-(2-naphthalen-2-yl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 91669221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).