N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide

C27H25NO6 — CID 162959375

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(-c2coc3cc(OCC(=O)NC(CO)Cc4ccccc4)ccc3c2=O)cc1
InChIInChI=1S/C27H25NO6/c1-32-21-9-7-19(8-10-21)24-16-34-25-14-22(11-12-23(25)27(24)31)33-17-26(30)28-20(15-29)13-18-5-3-2-4-6-18/h2-12,14,16,20,29H,13,15,17H2,1H3,(H,28,30)
InChIKeyOZSMBUZKVRJVCE-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.57
Rot. Bonds9

About N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide

N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 162959375) has the molecular formula C27H25NO6 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
PubChem CID162959375
Molecular FormulaC27H25NO6
Molecular Weight459.50 g/mol
Exact Mass459.17
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(-c2coc3cc(OCC(=O)NC(CO)Cc4ccccc4)ccc3c2=O)cc1
InChIInChI=1S/C27H25NO6/c1-32-21-9-7-19(8-10-21)24-16-34-25-14-22(11-12-23(25)27(24)31)33-17-26(30)28-20(15-29)13-18-5-3-2-4-6-18/h2-12,14,16,20,29H,13,15,17H2,1H3,(H,28,30)
InChIKeyOZSMBUZKVRJVCE-UHFFFAOYSA-N
XLogP3.57
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 163082505
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
CID 2032343
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 40816642
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 164610853
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 2421773
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

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide (CID 162959375) is N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide is COc1ccc(-c2coc3cc(OCC(=O)NC(CO)Cc4ccccc4)ccc3c2=O)cc1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is OZSMBUZKVRJVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO6/c1-32-21-9-7-19(8-10-21)24-16-34-25-14-22(11-12-23(25)27(24)31)33-17-26(30)28-20(15-29)13-18-5-3-2-4-6-18/h2-12,14,16,20,29H,13,15,17H2,1H3,(H,28,30).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 459.50 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 162959375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).