[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate

C17H17NO4 — CID 2274112

IUPAC[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)NCCO)c2)cc1
InChIInChI=1S/C17H17NO4/c1-12(20)22-16-7-5-13(6-8-16)14-3-2-4-15(11-14)17(21)18-9-10-19/h2-8,11,19H,9-10H2,1H3,(H,18,21)
InChIKeyGZEOJMBFKOFDSP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.00
Rot. Bonds5

About [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate

[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate (PubChem CID 2274112) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
PubChem CID2274112
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)NCCO)c2)cc1
InChIInChI=1S/C17H17NO4/c1-12(20)22-16-7-5-13(6-8-16)14-3-2-4-15(11-14)17(21)18-9-10-19/h2-8,11,19H,9-10H2,1H3,(H,18,21)
InChIKeyGZEOJMBFKOFDSP-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(3-oxobutylcarbamoyl)phenyl] acetate
CID 142810993
4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate
CID 2329700
N-(2-hydroxyethyl)-3-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzamide
CID 71074179
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
N-(2-methylsulfanylethyl)-3-phenylbenzamide
CID 67213717
[3-[2-[(3,4-dimethylbenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537513
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
butan-2-yl 3-(4-acetyloxyphenyl)benzoate
CID 2891518
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide
CID 73295422

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate?
The IUPAC name of [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate (CID 2274112) is [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate.
What is the SMILES notation for [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate?
The canonical SMILES for [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate is CC(=O)Oc1ccc(-c2cccc(C(=O)NCCO)c2)cc1.
What is the InChIKey of [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate?
The InChIKey is GZEOJMBFKOFDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(20)22-16-7-5-13(6-8-16)14-3-2-4-15(11-14)17(21)18-9-10-19/h2-8,11,19H,9-10H2,1H3,(H,18,21).
What are the key properties of [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate?
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate has a molecular weight of 299.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate is sourced from PubChem (CID 2274112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).