2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide

C28H33N3O6 — CID 53316474

IUPAC2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide
SMILESCC(C)Oc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C28H33N3O6/c1-19(2)36-25-16-20(6-7-23(25)29-26(33)18-30-8-12-34-13-9-30)21-4-3-5-22-24(32)17-27(37-28(21)22)31-10-14-35-15-11-31/h3-7,16-17,19H,8-15,18H2,1-2H3,(H,29,33)
InChIKeyBHXYWMKHQZDQLR-UHFFFAOYSA-N
MW507.59 g/mol
LogP3.35
Rot. Bonds7

About 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide

2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide (PubChem CID 53316474) has the molecular formula C28H33N3O6 and a molecular weight of 507.59 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide
PubChem CID53316474
Molecular FormulaC28H33N3O6
Molecular Weight507.59 g/mol
Exact Mass507.24
IUPAC Name2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide
SMILESCC(C)Oc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C28H33N3O6/c1-19(2)36-25-16-20(6-7-23(25)29-26(33)18-30-8-12-34-13-9-30)21-4-3-5-22-24(32)17-27(37-28(21)22)31-10-14-35-15-11-31/h3-7,16-17,19H,8-15,18H2,1-2H3,(H,29,33)
InChIKeyBHXYWMKHQZDQLR-UHFFFAOYSA-N
XLogP3.35
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide (CID 53316474) is 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide is CC(C)Oc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide?
The InChIKey is BHXYWMKHQZDQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O6/c1-19(2)36-25-16-20(6-7-23(25)29-26(33)18-30-8-12-34-13-9-30)21-4-3-5-22-24(32)17-27(37-28(21)22)31-10-14-35-15-11-31/h3-7,16-17,19H,8-15,18H2,1-2H3,(H,29,33).
What are the key properties of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide?
2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide has a molecular weight of 507.59 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-propan-2-yloxyphenyl]acetamide is sourced from PubChem (CID 53316474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).