2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide

C19H21NO5 — CID 58434171

IUPAC2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)N(CCO)CCO)cc1
InChIInChI=1S/C19H21NO5/c21-12-10-20(11-13-22)18(23)14-25-17-8-6-16(7-9-17)19(24)15-4-2-1-3-5-15/h1-9,21-22H,10-14H2
InChIKeySHFVFLOPCSIGHX-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.11
Rot. Bonds9

About 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide

2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 58434171) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID58434171
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)N(CCO)CCO)cc1
InChIInChI=1S/C19H21NO5/c21-12-10-20(11-13-22)18(23)14-25-17-8-6-16(7-9-17)19(24)15-4-2-1-3-5-15/h1-9,21-22H,10-14H2
InChIKeySHFVFLOPCSIGHX-UHFFFAOYSA-N
XLogP1.11
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 82325255
2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78883338
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 16533251
2-[[2-(4-benzoylphenoxy)acetyl]-methylamino]acetamide
CID 56809046
2-(4-ethoxyphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902367
2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 3577124
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
CID 157442056
CID 157442056
3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 122111906
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 9289798
N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide
CID 4968357

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide (CID 58434171) is 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide is O=C(c1ccccc1)c1ccc(OCC(=O)N(CCO)CCO)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is SHFVFLOPCSIGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c21-12-10-20(11-13-22)18(23)14-25-17-8-6-16(7-9-17)19(24)15-4-2-1-3-5-15/h1-9,21-22H,10-14H2.
What are the key properties of 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 58434171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).