2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide

C23H28BrN3O4 — CID 16548231

IUPAC2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C23H28BrN3O4/c1-17(31-20-5-2-18(24)3-6-20)23(28)25-21-7-4-19(26-8-12-29-13-9-26)16-22(21)27-10-14-30-15-11-27/h2-7,16-17H,8-15H2,1H3,(H,25,28)
InChIKeyRBYMFQJZAIRXRZ-UHFFFAOYSA-N
MW490.40 g/mol
LogP3.53
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide

2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide (PubChem CID 16548231) has the molecular formula C23H28BrN3O4 and a molecular weight of 490.40 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
PubChem CID16548231
Molecular FormulaC23H28BrN3O4
Molecular Weight490.40 g/mol
Exact Mass489.13
IUPAC Name2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C23H28BrN3O4/c1-17(31-20-5-2-18(24)3-6-20)23(28)25-21-7-4-19(26-8-12-29-13-9-26)16-22(21)27-10-14-30-15-11-27/h2-7,16-17H,8-15H2,1H3,(H,25,28)
InChIKeyRBYMFQJZAIRXRZ-UHFFFAOYSA-N
XLogP3.53
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide (CID 16548231) is 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
The InChIKey is RBYMFQJZAIRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O4/c1-17(31-20-5-2-18(24)3-6-20)23(28)25-21-7-4-19(26-8-12-29-13-9-26)16-22(21)27-10-14-30-15-11-27/h2-7,16-17H,8-15H2,1H3,(H,25,28).
What are the key properties of 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide has a molecular weight of 490.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 16548231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).