2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide

C13H18BrN3O4 — CID 63056501

IUPAC2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide
SMILESCOCCNCc1cc(Br)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C13H18BrN3O4/c1-20-5-4-16-7-9-6-10(14)2-3-11(9)21-8-12(18)17-13(15)19/h2-3,6,16H,4-5,7-8H2,1H3,(H3,15,17,18,19)
InChIKeyVCOGZYMPXHMCPR-UHFFFAOYSA-N
MW360.21 g/mol
LogP0.76
Rot. Bonds8

About 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide

2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide (PubChem CID 63056501) has the molecular formula C13H18BrN3O4 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide
PubChem CID63056501
Molecular FormulaC13H18BrN3O4
Molecular Weight360.21 g/mol
Exact Mass359.05
IUPAC Name2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide
SMILESCOCCNCc1cc(Br)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C13H18BrN3O4/c1-20-5-4-16-7-9-6-10(14)2-3-11(9)21-8-12(18)17-13(15)19/h2-3,6,16H,4-5,7-8H2,1H3,(H3,15,17,18,19)
InChIKeyVCOGZYMPXHMCPR-UHFFFAOYSA-N
XLogP0.76
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide 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-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide
CID 63324892
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053957
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63056502
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 17053956
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 63058368
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
2-[4-bromo-2-[(3-ethoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053775
N-[[5-bromo-2-(2-methylsulfanylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 113473381
2-[4-bromo-2-(propylaminomethyl)phenoxy]-N-(cyanomethyl)acetamide
CID 60882931
3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide
CID 17053825
2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053783

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide (CID 63056501) is 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide is COCCNCc1cc(Br)ccc1OCC(=O)NC(N)=O.
What is the InChIKey of 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide?
The InChIKey is VCOGZYMPXHMCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O4/c1-20-5-4-16-7-9-6-10(14)2-3-11(9)21-8-12(18)17-13(15)19/h2-3,6,16H,4-5,7-8H2,1H3,(H3,15,17,18,19).
What are the key properties of 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide?
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide has a molecular weight of 360.21 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 63056501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).