2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide

C30H28N2O4 — CID 22306351

IUPAC2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide
SMILESO=C(COc1ccccc1)c1ccccc1NCCN(C(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O4/c33-29(22-35-25-14-6-2-7-15-25)27-18-10-11-19-28(27)31-20-21-32(24-12-4-1-5-13-24)30(34)23-36-26-16-8-3-9-17-26/h1-19,31H,20-23H2
InChIKeyZIXKGBODBQCKKG-UHFFFAOYSA-N
MW480.56 g/mol
LogP5.47
Rot. Bonds12

About 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide

2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide (PubChem CID 22306351) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide
PubChem CID22306351
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide
SMILESO=C(COc1ccccc1)c1ccccc1NCCN(C(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O4/c33-29(22-35-25-14-6-2-7-15-25)27-18-10-11-19-28(27)31-20-21-32(24-12-4-1-5-13-24)30(34)23-36-26-16-8-3-9-17-26/h1-19,31H,20-23H2
InChIKeyZIXKGBODBQCKKG-UHFFFAOYSA-N
XLogP5.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide
CID 22306435
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide
CID 3374858
2-phenoxy-N-phenyl-N-(phenylcarbamothioyl)acetamide
CID 87658528
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
methyl 4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethoxy]benzoate
CID 51172550
N-[2-(2-aminoacetyl)phenyl]-2-phenoxyacetamide
CID 170860834
methyl 2-[2-(2-phenoxyacetyl)phenyl]acetate
CID 170143347
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442
N-methyl-N-phenyl-2-[2-(2-phenylethylamino)phenoxy]acetamide
CID 10522544
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
CID 16787196

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide?
The IUPAC name of 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide (CID 22306351) is 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide.
What is the SMILES notation for 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide?
The canonical SMILES for 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide is O=C(COc1ccccc1)c1ccccc1NCCN(C(=O)COc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide?
The InChIKey is ZIXKGBODBQCKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c33-29(22-35-25-14-6-2-7-15-25)27-18-10-11-19-28(27)31-20-21-32(24-12-4-1-5-13-24)30(34)23-36-26-16-8-3-9-17-26/h1-19,31H,20-23H2.
What are the key properties of 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide?
2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide has a molecular weight of 480.56 g/mol, XLogP of 5.47, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide is sourced from PubChem (CID 22306351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).