N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide

C15H21BrN2O2 — CID 17220722

IUPACN-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)14(19)17-11-4-5-13(12(16)10-11)18-6-8-20-9-7-18/h4-5,10H,6-9H2,1-3H3,(H,17,19)
InChIKeyOONMTYJRASAJKI-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.27
Rot. Bonds2

About N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide

N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide (PubChem CID 17220722) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
PubChem CID17220722
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)14(19)17-11-4-5-13(12(16)10-11)18-6-8-20-9-7-18/h4-5,10H,6-9H2,1-3H3,(H,17,19)
InChIKeyOONMTYJRASAJKI-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
dimethyl (E)-2-(3-bromo-4-morpholin-4-ylanilino)but-2-enedioate
CID 168570212
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
CID 17220799
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one
CID 117480032
2,2-dimethyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
CID 771523

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide (CID 17220722) is N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(N2CCOCC2)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide?
The InChIKey is OONMTYJRASAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(2,3)14(19)17-11-4-5-13(12(16)10-11)18-6-8-20-9-7-18/h4-5,10H,6-9H2,1-3H3,(H,17,19).
What are the key properties of N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide?
N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide has a molecular weight of 341.25 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 17220722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).