2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide

C17H20N2O5 — CID 41402767

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc2c(CC)cc(=O)oc2c1
InChIInChI=1S/C17H20N2O5/c1-3-7-18-17(22)19-15(20)10-23-12-5-6-13-11(4-2)8-16(21)24-14(13)9-12/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,18,19,20,22)
InChIKeyJDBGBCAWHWHBGI-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.97
Rot. Bonds6

About 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide (PubChem CID 41402767) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
PubChem CID41402767
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc2c(CC)cc(=O)oc2c1
InChIInChI=1S/C17H20N2O5/c1-3-7-18-17(22)19-15(20)10-23-12-5-6-13-11(4-2)8-16(21)24-14(13)9-12/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,18,19,20,22)
InChIKeyJDBGBCAWHWHBGI-UHFFFAOYSA-N
XLogP1.97
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.97
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

1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
CID 7996338
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 7699702
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 8636135
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 171909334
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide (CID 41402767) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)COc1ccc2c(CC)cc(=O)oc2c1.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide?
The InChIKey is JDBGBCAWHWHBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-3-7-18-17(22)19-15(20)10-23-12-5-6-13-11(4-2)8-16(21)24-14(13)9-12/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 41402767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).