N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide

C27H27N3O5 — CID 4968357

IUPACN-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H27N3O5/c1-3-30(17-25(32)29-23-13-11-22(12-14-23)28-19(2)31)26(33)18-35-24-15-9-21(10-16-24)27(34)20-7-5-4-6-8-20/h4-16H,3,17-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyLSHFWFJBOTVSHG-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.74
Rot. Bonds10

About N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide

N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide (PubChem CID 4968357) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide
PubChem CID4968357
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H27N3O5/c1-3-30(17-25(32)29-23-13-11-22(12-14-23)28-19(2)31)26(33)18-35-24-15-9-21(10-16-24)27(34)20-7-5-4-6-8-20/h4-16H,3,17-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyLSHFWFJBOTVSHG-UHFFFAOYSA-N
XLogP3.74
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 3577124
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9094951
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 58434171
N-ethyl-2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 9286983

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide (CID 4968357) is N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide?
The InChIKey is LSHFWFJBOTVSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-3-30(17-25(32)29-23-13-11-22(12-14-23)28-19(2)31)26(33)18-35-24-15-9-21(10-16-24)27(34)20-7-5-4-6-8-20/h4-16H,3,17-18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide?
N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide has a molecular weight of 473.53 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide is sourced from PubChem (CID 4968357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).