N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

C19H17NO5 — CID 171911516

IUPACN-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1CCO
InChIInChI=1S/C19H17NO5/c21-10-9-13-3-1-2-4-16(13)20-18(22)12-24-15-7-5-14-6-8-19(23)25-17(14)11-15/h1-8,11,21H,9-10,12H2,(H,20,22)
InChIKeyMPFZPTQHXAQFAB-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 171911516) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID171911516
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1CCO
InChIInChI=1S/C19H17NO5/c21-10-9-13-3-1-2-4-16(13)20-18(22)12-24-15-7-5-14-6-8-19(23)25-17(14)11-15/h1-8,11,21H,9-10,12H2,(H,20,22)
InChIKeyMPFZPTQHXAQFAB-UHFFFAOYSA-N
XLogP2.35
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 17419486
N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 56573237
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 46421125
N-(5-tert-butyl-2-hydroxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 27672834
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705141

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 171911516) is N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1CCO.
What is the InChIKey of N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is MPFZPTQHXAQFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-10-9-13-3-1-2-4-16(13)20-18(22)12-24-15-7-5-14-6-8-19(23)25-17(14)11-15/h1-8,11,21H,9-10,12H2,(H,20,22).
What are the key properties of N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 339.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 171911516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).