N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide

C26H27N3O3 — CID 2558228

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-3-29(18-24(31)28-23-16-14-22(15-17-23)27-19(2)30)26(32)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,25H,3,18H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNJEXOKCHXGVMKV-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.26
Rot. Bonds8

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide (PubChem CID 2558228) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide
PubChem CID2558228
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-3-29(18-24(31)28-23-16-14-22(15-17-23)27-19(2)30)26(32)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,25H,3,18H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNJEXOKCHXGVMKV-UHFFFAOYSA-N
XLogP4.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide (CID 2558228) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide?
The InChIKey is NJEXOKCHXGVMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-3-29(18-24(31)28-23-16-14-22(15-17-23)27-19(2)30)26(32)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,25H,3,18H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide has a molecular weight of 429.52 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide is sourced from PubChem (CID 2558228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).