[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

C25H23NO5 — CID 8007912

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H23NO5/c1-18(27)21-13-8-14-22(15-21)30-17-24(29)31-16-23(28)26-25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-15,25H,16-17H2,1H3,(H,26,28)
InChIKeyORWXGBVLRSKRFN-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.72
Rot. Bonds9

About [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 8007912) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
PubChem CID8007912
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H23NO5/c1-18(27)21-13-8-14-22(15-21)30-17-24(29)31-16-23(28)26-25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-15,25H,16-17H2,1H3,(H,26,28)
InChIKeyORWXGBVLRSKRFN-UHFFFAOYSA-N
XLogP3.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853538
2-(3-acetylphenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 78798600
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592473
2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide
CID 55990114
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate
CID 8840794
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902950
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903034

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (CID 8007912) is [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is ORWXGBVLRSKRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-18(27)21-13-8-14-22(15-21)30-17-24(29)31-16-23(28)26-25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-15,25H,16-17H2,1H3,(H,26,28).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 417.46 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 8007912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).