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

C31H31N3O5 — CID 53317813

IUPAC2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1
InChIInChI=1S/C31H31N3O5/c35-28-20-30(34-13-17-38-18-14-34)39-31-24(7-4-8-25(28)31)23-9-10-27(26(19-23)22-5-2-1-3-6-22)32-29(36)21-33-11-15-37-16-12-33/h1-10,19-20H,11-18,21H2,(H,32,36)
InChIKeyKJQZPWWZMYOHNZ-UHFFFAOYSA-N
MW525.61 g/mol
LogP4.23
Rot. Bonds6

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

2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide (PubChem CID 53317813) has the molecular formula C31H31N3O5 and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide
PubChem CID53317813
Molecular FormulaC31H31N3O5
Molecular Weight525.61 g/mol
Exact Mass525.23
IUPAC Name2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1
InChIInChI=1S/C31H31N3O5/c35-28-20-30(34-13-17-38-18-14-34)39-31-24(7-4-8-25(28)31)23-9-10-27(26(19-23)22-5-2-1-3-6-22)32-29(36)21-33-11-15-37-16-12-33/h1-10,19-20H,11-18,21H2,(H,32,36)
InChIKeyKJQZPWWZMYOHNZ-UHFFFAOYSA-N
XLogP4.23
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-phenylphenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide (CID 53317813) is 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide is O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide?
The InChIKey is KJQZPWWZMYOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O5/c35-28-20-30(34-13-17-38-18-14-34)39-31-24(7-4-8-25(28)31)23-9-10-27(26(19-23)22-5-2-1-3-6-22)32-29(36)21-33-11-15-37-16-12-33/h1-10,19-20H,11-18,21H2,(H,32,36).
What are the key properties of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide?
2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenyl]acetamide has a molecular weight of 525.61 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-phenylphenyl]acetamide is sourced from PubChem (CID 53317813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).