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

C19H25NO4 — CID 8882786

IUPACN-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCCC[C@@H](CC)CNC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H25NO4/c1-3-5-6-14(4-2)12-20-18(21)13-23-16-9-7-15-8-10-19(22)24-17(15)11-16/h7-11,14H,3-6,12-13H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyWGYKIJSKNHHOPI-CQSZACIVSA-N
MW331.41 g/mol
LogP3.50
Rot. Bonds9

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

N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 8882786) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID8882786
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCCC[C@@H](CC)CNC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H25NO4/c1-3-5-6-14(4-2)12-20-18(21)13-23-16-9-7-15-8-10-19(22)24-17(15)11-16/h7-11,14H,3-6,12-13H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyWGYKIJSKNHHOPI-CQSZACIVSA-N
XLogP3.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9078860
N-(2-ethylhexyl)-2-naphthalen-2-yloxyacetamide
CID 5172128
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
CID 97038167
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 119526601
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 55550585
(2-oxochromen-7-yl) 2-ethylhexanoate
CID 71476038
N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 102106076
2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide
CID 19167363
2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8882835
3-(4-chlorophenyl)-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid
CID 74324640

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 8882786) is N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide is CCCC[C@@H](CC)CNC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is WGYKIJSKNHHOPI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25NO4/c1-3-5-6-14(4-2)12-20-18(21)13-23-16-9-7-15-8-10-19(22)24-17(15)11-16/h7-11,14H,3-6,12-13H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 331.41 g/mol, XLogP of 3.50, 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-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 8882786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).