N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide

C13H13NO4 — CID 11311185

IUPACN-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
SMILESCC(=O)NCCOc1cc(=O)oc2ccccc12
InChIInChI=1S/C13H13NO4/c1-9(15)14-6-7-17-12-8-13(16)18-11-5-3-2-4-10(11)12/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyMCYROOBEBVAHDW-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.31
Rot. Bonds4

About N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide

N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide (PubChem CID 11311185) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
PubChem CID11311185
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC NameN-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
SMILESCC(=O)NCCOc1cc(=O)oc2ccccc12
InChIInChI=1S/C13H13NO4/c1-9(15)14-6-7-17-12-8-13(16)18-11-5-3-2-4-10(11)12/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyMCYROOBEBVAHDW-UHFFFAOYSA-N
XLogP1.31
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxychromen-2-one
CID 688703
5-(2-oxochromen-4-yl)oxypentyl propanoate
CID 164525276
N-hydroxy-6-(2-oxochromen-4-yl)oxyhexanamide
CID 169095175
4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one
CID 171713983
3-(2-oxochromen-4-yl)oxypropyl 2-methylbutanoate
CID 164525443
4-[3-(dimethylamino)propoxy]chromen-2-one;4-hydroxychromen-2-one;hydrochloride
CID 158605000
2-[2-(2-oxochromen-4-yl)oxyethylsulfanyl]ethyl 2-methylpropanoate
CID 164525341
13-(2-oxochromen-4-yl)oxytridecyl 2-methylbutanoate
CID 171454429
ethyl 2-(2-oxochromen-4-yl)oxypropanoate
CID 5135792
4-[(E)-but-2-enoxy]chromen-2-one
CID 14904180
4-[2-(2-methoxyethoxy)ethoxy]chromen-2-one;2-methylpropanal
CID 164525573
13-(2-oxochromen-4-yl)oxytridecyl 2-iodopentanoate
CID 167118216

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide?
The IUPAC name of N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide (CID 11311185) is N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide.
What is the SMILES notation for N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide?
The canonical SMILES for N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide is CC(=O)NCCOc1cc(=O)oc2ccccc12.
What is the InChIKey of N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide?
The InChIKey is MCYROOBEBVAHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-9(15)14-6-7-17-12-8-13(16)18-11-5-3-2-4-10(11)12/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide?
N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide has a molecular weight of 247.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide is sourced from PubChem (CID 11311185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).