2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

C22H26BrN3O4 — CID 24978889

IUPAC2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26BrN3O4/c1-16(30-20-9-3-17(23)4-10-20)22(28)25(2)15-21(27)24-18-5-7-19(8-6-18)26-11-13-29-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,27)
InChIKeyORRPJGGMCHXPQB-UHFFFAOYSA-N
MW476.37 g/mol
LogP3.15
Rot. Bonds7

About 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (PubChem CID 24978889) has the molecular formula C22H26BrN3O4 and a molecular weight of 476.37 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
PubChem CID24978889
Molecular FormulaC22H26BrN3O4
Molecular Weight476.37 g/mol
Exact Mass475.11
IUPAC Name2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26BrN3O4/c1-16(30-20-9-3-17(23)4-10-20)22(28)25(2)15-21(27)24-18-5-7-19(8-6-18)26-11-13-29-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,27)
InChIKeyORRPJGGMCHXPQB-UHFFFAOYSA-N
XLogP3.15
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (CID 24978889) is 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is CC(Oc1ccc(Br)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The InChIKey is ORRPJGGMCHXPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O4/c1-16(30-20-9-3-17(23)4-10-20)22(28)25(2)15-21(27)24-18-5-7-19(8-6-18)26-11-13-29-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide has a molecular weight of 476.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 24978889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).