N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide

C18H26BrN3O3 — CID 70622393

IUPACN-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(CN2CCOCC2)cc(Br)cc1CN1CCOCC1
InChIInChI=1S/C18H26BrN3O3/c1-14(23)20-18-15(12-21-2-6-24-7-3-21)10-17(19)11-16(18)13-22-4-8-25-9-5-22/h10-11H,2-9,12-13H2,1H3,(H,20,23)
InChIKeyWCXSDDNVGJRGBB-UHFFFAOYSA-N
MW412.33 g/mol
LogP2.07
Rot. Bonds5

About N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide

N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 70622393) has the molecular formula C18H26BrN3O3 and a molecular weight of 412.33 g/mol. Its IUPAC name is N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID70622393
Molecular FormulaC18H26BrN3O3
Molecular Weight412.33 g/mol
Exact Mass411.12
IUPAC NameN-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(CN2CCOCC2)cc(Br)cc1CN1CCOCC1
InChIInChI=1S/C18H26BrN3O3/c1-14(23)20-18-15(12-21-2-6-24-7-3-21)10-17(19)11-16(18)13-22-4-8-25-9-5-22/h10-11H,2-9,12-13H2,1H3,(H,20,23)
InChIKeyWCXSDDNVGJRGBB-UHFFFAOYSA-N
XLogP2.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4,5-dimethoxy-2-(morpholin-4-ylmethyl)phenyl]acetamide;hydrochloride
CID 117068551
5-bromo-2-hydroxy-3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)benzaldehyde
CID 100998969
4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 66611704
N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036296
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid
CID 117216599
CID 131887032
CID 131887032
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
CID 70566541
(4-acetamidophenyl) 2-(morpholin-4-ylmethyl)benzoate
CID 14857757
4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
CID 139210695

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide (CID 70622393) is N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide is CC(=O)Nc1c(CN2CCOCC2)cc(Br)cc1CN1CCOCC1.
What is the InChIKey of N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is WCXSDDNVGJRGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O3/c1-14(23)20-18-15(12-21-2-6-24-7-3-21)10-17(19)11-16(18)13-22-4-8-25-9-5-22/h10-11H,2-9,12-13H2,1H3,(H,20,23).
What are the key properties of N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide?
N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 412.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 70622393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).