2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide

C21H25N3O3 — CID 5019501

IUPAC2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide
SMILESCCCC/N=C(\C(=O)Nc1ccccc1OC)c1ccccc1NC(C)=O
InChIInChI=1S/C21H25N3O3/c1-4-5-14-22-20(16-10-6-7-11-17(16)23-15(2)25)21(26)24-18-12-8-9-13-19(18)27-3/h6-13H,4-5,14H2,1-3H3,(H,23,25)(H,24,26)/b22-20-
InChIKeyBAHRSJSMACUGGQ-XDOYNYLZSA-N
MW367.45 g/mol
LogP3.88
Rot. Bonds8

About 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide

2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide (PubChem CID 5019501) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide
PubChem CID5019501
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide
SMILESCCCC/N=C(\C(=O)Nc1ccccc1OC)c1ccccc1NC(C)=O
InChIInChI=1S/C21H25N3O3/c1-4-5-14-22-20(16-10-6-7-11-17(16)23-15(2)25)21(26)24-18-12-8-9-13-19(18)27-3/h6-13H,4-5,14H2,1-3H3,(H,23,25)(H,24,26)/b22-20-
InChIKeyBAHRSJSMACUGGQ-XDOYNYLZSA-N
XLogP3.88
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide (CID 5019501) is 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide is CCCC/N=C(\C(=O)Nc1ccccc1OC)c1ccccc1NC(C)=O.
What is the InChIKey of 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide?
The InChIKey is BAHRSJSMACUGGQ-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-5-14-22-20(16-10-6-7-11-17(16)23-15(2)25)21(26)24-18-12-8-9-13-19(18)27-3/h6-13H,4-5,14H2,1-3H3,(H,23,25)(H,24,26)/b22-20-.
What are the key properties of 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide?
2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-2-butylimino-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 5019501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).