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

C22H23NO5 — CID 45371498

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCC(C)C(CO)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C22H23NO5/c1-14(2)19(11-24)23-21(25)13-27-16-8-9-17-20(10-16)28-12-18(22(17)26)15-6-4-3-5-7-15/h3-10,12,14,19,24H,11,13H2,1-2H3,(H,23,25)
InChIKeyCBHCHIRHODOGAA-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.97
Rot. Bonds7

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

N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide (PubChem CID 45371498) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
PubChem CID45371498
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCC(C)C(CO)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C22H23NO5/c1-14(2)19(11-24)23-21(25)13-27-16-8-9-17-20(10-16)28-12-18(22(17)26)15-6-4-3-5-7-15/h3-10,12,14,19,24H,11,13H2,1-2H3,(H,23,25)
InChIKeyCBHCHIRHODOGAA-UHFFFAOYSA-N
XLogP2.97
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 163082505
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
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 162959375
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 2421773

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide (CID 45371498) is N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide is CC(C)C(CO)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The InChIKey is CBHCHIRHODOGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14(2)19(11-24)23-21(25)13-27-16-8-9-17-20(10-16)28-12-18(22(17)26)15-6-4-3-5-7-15/h3-10,12,14,19,24H,11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide has a molecular weight of 381.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 45371498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).