2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide

C19H25NO4 — CID 8882835

IUPAC2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H25NO4/c1-18(2,3)12-19(4,5)20-16(21)11-23-14-8-6-13-7-9-17(22)24-15(13)10-14/h6-10H,11-12H2,1-5H3,(H,20,21)
InChIKeyGIRBZXYYTBIHHS-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.50
Rot. Bonds5

About 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 8882835) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID8882835
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H25NO4/c1-18(2,3)12-19(4,5)20-16(21)11-23-14-8-6-13-7-9-17(22)24-15(13)10-14/h6-10H,11-12H2,1-5H3,(H,20,21)
InChIKeyGIRBZXYYTBIHHS-UHFFFAOYSA-N
XLogP3.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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'}

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Related Compounds

N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
N-(5-tert-butyl-2-hydroxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 27672834
2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide
CID 7432101
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32603710
N-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 8882835) is 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(C)(C)CC(C)(C)NC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is GIRBZXYYTBIHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-18(2,3)12-19(4,5)20-16(21)11-23-14-8-6-13-7-9-17(22)24-15(13)10-14/h6-10H,11-12H2,1-5H3,(H,20,21).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 331.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 8882835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).