N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H27NO4 — CID 9078860

IUPACN-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCCC[C@@H](CC)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C20H27NO4/c1-4-6-7-15(5-2)12-21-19(22)13-24-16-8-9-17-14(3)10-20(23)25-18(17)11-16/h8-11,15H,4-7,12-13H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyWHENMCGNGSILNN-OAHLLOKOSA-N
MW345.44 g/mol
LogP3.81
Rot. Bonds9

About N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 9078860) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID9078860
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC NameN-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCCC[C@@H](CC)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C20H27NO4/c1-4-6-7-15(5-2)12-21-19(22)13-24-16-8-9-17-14(3)10-20(23)25-18(17)11-16/h8-11,15H,4-7,12-13H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyWHENMCGNGSILNN-OAHLLOKOSA-N
XLogP3.81
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882786
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid
CID 4668968
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
CID 7996338
N-(2-ethylhexyl)-2-naphthalen-2-yloxyacetamide
CID 5172128
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
CID 51808687
N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
CID 97038167
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 9078860) is N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is CCCC[C@@H](CC)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is WHENMCGNGSILNN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27NO4/c1-4-6-7-15(5-2)12-21-19(22)13-24-16-8-9-17-14(3)10-20(23)25-18(17)11-16/h8-11,15H,4-7,12-13H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 345.44 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 9078860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).