2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide

C22H26N2O4 — CID 3577124

IUPAC2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c1-4-24(14-20(25)23-16(2)3)21(26)15-28-19-12-10-18(11-13-19)22(27)17-8-6-5-7-9-17/h5-13,16H,4,14-15H2,1-3H3,(H,23,25)
InChIKeyBHAIYFLXFKFSPU-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.67
Rot. Bonds9

About 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide

2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 3577124) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID3577124
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c1-4-24(14-20(25)23-16(2)3)21(26)15-28-19-12-10-18(11-13-19)22(27)17-8-6-5-7-9-17/h5-13,16H,4,14-15H2,1-3H3,(H,23,25)
InChIKeyBHAIYFLXFKFSPU-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide
CID 4968357
2-[ethyl-[2-(3-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 78767293
2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 32711134
2-[[2-(4-ethoxyphenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475810
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 58434171
2-[methyl-[2-(4-phenylmethoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 8820532
N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47105894
N-ethyl-2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 9286983
2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 18157857
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide (CID 3577124) is 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is BHAIYFLXFKFSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-24(14-20(25)23-16(2)3)21(26)15-28-19-12-10-18(11-13-19)22(27)17-8-6-5-7-9-17/h5-13,16H,4,14-15H2,1-3H3,(H,23,25).
What are the key properties of 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide?
2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 382.46 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 3577124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).