2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide

C16H22BrN3O3 — CID 113160733

IUPAC2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CCN1CCOCC1)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O3/c1-13(21)20(6-5-19-7-9-23-10-8-19)12-16(22)18-15-4-2-3-14(17)11-15/h2-4,11H,5-10,12H2,1H3,(H,18,22)
InChIKeyMDTDILNMRHJGHM-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.57
Rot. Bonds6

About 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide

2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide (PubChem CID 113160733) has the molecular formula C16H22BrN3O3 and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
PubChem CID113160733
Molecular FormulaC16H22BrN3O3
Molecular Weight384.27 g/mol
Exact Mass383.08
IUPAC Name2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CCN1CCOCC1)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O3/c1-13(21)20(6-5-19-7-9-23-10-8-19)12-16(22)18-15-4-2-3-14(17)11-15/h2-4,11H,5-10,12H2,1H3,(H,18,22)
InChIKeyMDTDILNMRHJGHM-UHFFFAOYSA-N
XLogP1.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113160688
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160686
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
CID 113160547
2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
CID 113165914
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113160713
N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide
CID 83021926
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117763
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113117743
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide
CID 78821303
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide (CID 113160733) is 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide is CC(=O)N(CCN1CCOCC1)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide?
The InChIKey is MDTDILNMRHJGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3/c1-13(21)20(6-5-19-7-9-23-10-8-19)12-16(22)18-15-4-2-3-14(17)11-15/h2-4,11H,5-10,12H2,1H3,(H,18,22).
What are the key properties of 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide?
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide has a molecular weight of 384.27 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 113160733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).