2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide

C32H32N2O6 — CID 11956211

IUPAC2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1)NCC1CCCO1
InChIInChI=1S/C32H32N2O6/c35-28-19-31(34-13-16-37-17-14-34)40-32-25(9-4-10-26(28)32)23-11-12-29(27(18-23)22-6-2-1-3-7-22)39-21-30(36)33-20-24-8-5-15-38-24/h1-4,6-7,9-12,18-19,24H,5,8,13-17,20-21H2,(H,33,36)
InChIKeyREIXCLHLOVZRQO-UHFFFAOYSA-N
MW540.62 g/mol
LogP4.64
Rot. Bonds8

About 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 11956211) has the molecular formula C32H32N2O6 and a molecular weight of 540.62 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID11956211
Molecular FormulaC32H32N2O6
Molecular Weight540.62 g/mol
Exact Mass540.23
IUPAC Name2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1)NCC1CCCO1
InChIInChI=1S/C32H32N2O6/c35-28-19-31(34-13-16-37-17-14-34)40-32-25(9-4-10-26(28)32)23-11-12-29(27(18-23)22-6-2-1-3-7-22)39-21-30(36)33-20-24-8-5-15-38-24/h1-4,6-7,9-12,18-19,24H,5,8,13-17,20-21H2,(H,33,36)
InChIKeyREIXCLHLOVZRQO-UHFFFAOYSA-N
XLogP4.64
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 11956211) is 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1)NCC1CCCO1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is REIXCLHLOVZRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O6/c35-28-19-31(34-13-16-37-17-14-34)40-32-25(9-4-10-26(28)32)23-11-12-29(27(18-23)22-6-2-1-3-7-22)39-21-30(36)33-20-24-8-5-15-38-24/h1-4,6-7,9-12,18-19,24H,5,8,13-17,20-21H2,(H,33,36).
What are the key properties of 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 540.62 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 11956211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).