N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide

C24H24N2O4 — CID 131937049

IUPACN-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccc(Oc2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H24N2O4/c1-28-19-10-12-21(13-11-19)30-20-8-6-18(7-9-20)25-24(27)22-4-2-3-5-23(22)26-14-16-29-17-15-26/h2-13H,14-17H2,1H3,(H,25,27)
InChIKeyAPTBYQGAGJJUAW-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.58
Rot. Bonds6

About N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide

N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide (PubChem CID 131937049) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
PubChem CID131937049
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccc(Oc2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H24N2O4/c1-28-19-10-12-21(13-11-19)30-20-8-6-18(7-9-20)25-24(27)22-4-2-3-5-23(22)26-14-16-29-17-15-26/h2-13H,14-17H2,1H3,(H,25,27)
InChIKeyAPTBYQGAGJJUAW-UHFFFAOYSA-N
XLogP4.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide (CID 131937049) is N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide is COc1ccc(Oc2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide?
The InChIKey is APTBYQGAGJJUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-19-10-12-21(13-11-19)30-20-8-6-18(7-9-20)25-24(27)22-4-2-3-5-23(22)26-14-16-29-17-15-26/h2-13H,14-17H2,1H3,(H,25,27).
What are the key properties of N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide?
N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131937049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).