N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide

C13H17BrN2O3 — CID 119757535

IUPACN-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
SMILESO=C(NCCOc1ccc(Br)cc1)C1CNCCO1
InChIInChI=1S/C13H17BrN2O3/c14-10-1-3-11(4-2-10)18-8-6-16-13(17)12-9-15-5-7-19-12/h1-4,12,15H,5-9H2,(H,16,17)
InChIKeyLVSDWWZJSYSBNK-UHFFFAOYSA-N
MW329.19 g/mol
LogP0.93
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide

N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide (PubChem CID 119757535) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
PubChem CID119757535
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC NameN-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
SMILESO=C(NCCOc1ccc(Br)cc1)C1CNCCO1
InChIInChI=1S/C13H17BrN2O3/c14-10-1-3-11(4-2-10)18-8-6-16-13(17)12-9-15-5-7-19-12/h1-4,12,15H,5-9H2,(H,16,17)
InChIKeyLVSDWWZJSYSBNK-UHFFFAOYSA-N
XLogP0.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide 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-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119780659
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide
CID 119780506
2-(morpholine-2-carbonylamino)ethyl carbamate
CID 83210560
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119784414
N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119780505
N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119806742
N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753692
2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid
CID 79457958
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[2-(cyclopropylmethoxy)ethyl]morpholine-2-carboxamide
CID 103809948
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide (CID 119757535) is N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide is O=C(NCCOc1ccc(Br)cc1)C1CNCCO1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide?
The InChIKey is LVSDWWZJSYSBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c14-10-1-3-11(4-2-10)18-8-6-16-13(17)12-9-15-5-7-19-12/h1-4,12,15H,5-9H2,(H,16,17).
What are the key properties of N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide?
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide has a molecular weight of 329.19 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119757535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).