N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide

C23H25NO5 — CID 163082505

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCC(C)CC(CO)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C23H25NO5/c1-15(2)10-17(12-25)24-22(26)14-28-18-8-9-19-21(11-18)29-13-20(23(19)27)16-6-4-3-5-7-16/h3-9,11,13,15,17,25H,10,12,14H2,1-2H3,(H,24,26)
InChIKeyDDRORYPSWWLBSJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.36
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide (PubChem CID 163082505) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
PubChem CID163082505
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCC(C)CC(CO)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C23H25NO5/c1-15(2)10-17(12-25)24-22(26)14-28-18-8-9-19-21(11-18)29-13-20(23(19)27)16-6-4-3-5-7-16/h3-9,11,13,15,17,25H,10,12,14H2,1-2H3,(H,24,26)
InChIKeyDDRORYPSWWLBSJ-UHFFFAOYSA-N
XLogP3.36
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 162959375
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 40816642
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289
ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate
CID 23939473

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide (CID 163082505) is N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide is CC(C)CC(CO)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The InChIKey is DDRORYPSWWLBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-15(2)10-17(12-25)24-22(26)14-28-18-8-9-19-21(11-18)29-13-20(23(19)27)16-6-4-3-5-7-16/h3-9,11,13,15,17,25H,10,12,14H2,1-2H3,(H,24,26).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide has a molecular weight of 395.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 163082505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).