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

C23H28BrN3O4 — CID 25337305

IUPAC(2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
SMILESC[C@@H](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)/t17-/m1/s1
InChIKeyRBYMFQJZAIRXRZ-QGZVFWFLSA-N
MW490.40 g/mol
LogP3.53
Rot. Bonds6

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

(2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide (PubChem CID 25337305) has the molecular formula C23H28BrN3O4 and a molecular weight of 490.40 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
PubChem CID25337305
Molecular FormulaC23H28BrN3O4
Molecular Weight490.40 g/mol
Exact Mass489.13
IUPAC Name(2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
SMILESC[C@@H](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)/t17-/m1/s1
InChIKeyRBYMFQJZAIRXRZ-QGZVFWFLSA-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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Related Compounds

2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 132666019
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
(2S)-2-(4-acetylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 40791637
2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 24590426
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
(2R,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
CID 41307264
(2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
CID 41307253
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
CID 3450203
2-(4-methylsulfanylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 78760017

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide (CID 25337305) is (2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide is C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
The InChIKey is RBYMFQJZAIRXRZ-QGZVFWFLSA-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)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide?
(2R)-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 (2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 25337305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).