2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide

C22H28BrN3O3 — CID 55436315

IUPAC2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C22H28BrN3O3/c1-18(29-21-5-3-20(23)4-6-21)22(27)26(17-19-7-9-24-10-8-19)12-2-11-25-13-15-28-16-14-25/h3-10,18H,2,11-17H2,1H3
InChIKeyAUKMLLWHIWTFET-UHFFFAOYSA-N
MW462.39 g/mol
LogP3.36
Rot. Bonds9

About 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide

2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 55436315) has the molecular formula C22H28BrN3O3 and a molecular weight of 462.39 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID55436315
Molecular FormulaC22H28BrN3O3
Molecular Weight462.39 g/mol
Exact Mass461.13
IUPAC Name2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C22H28BrN3O3/c1-18(29-21-5-3-20(23)4-6-21)22(27)26(17-19-7-9-24-10-8-19)12-2-11-25-13-15-28-16-14-25/h3-10,18H,2,11-17H2,1H3
InChIKeyAUKMLLWHIWTFET-UHFFFAOYSA-N
XLogP3.36
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 55436392
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564590
2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate
CID 56564473
2-(4-tert-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564277
3-(2,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536360
2-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56536378
3-(4-ethoxy-3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 86974616
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 56536701
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide (CID 55436315) is 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is AUKMLLWHIWTFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O3/c1-18(29-21-5-3-20(23)4-6-21)22(27)26(17-19-7-9-24-10-8-19)12-2-11-25-13-15-28-16-14-25/h3-10,18H,2,11-17H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide?
2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 462.39 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 55436315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).