2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide

C13H18BrN3O4 — CID 43626905

IUPAC2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
SMILESCCOc1cc(CNC)cc(Br)c1OCC(=O)NC(N)=O
InChIInChI=1S/C13H18BrN3O4/c1-3-20-10-5-8(6-16-2)4-9(14)12(10)21-7-11(18)17-13(15)19/h4-5,16H,3,6-7H2,1-2H3,(H3,15,17,18,19)
InChIKeyVIZFUBYUPWMKJR-UHFFFAOYSA-N
MW360.21 g/mol
LogP1.14
Rot. Bonds7

About 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide

2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide (PubChem CID 43626905) has the molecular formula C13H18BrN3O4 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
PubChem CID43626905
Molecular FormulaC13H18BrN3O4
Molecular Weight360.21 g/mol
Exact Mass359.05
IUPAC Name2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
SMILESCCOc1cc(CNC)cc(Br)c1OCC(=O)NC(N)=O
InChIInChI=1S/C13H18BrN3O4/c1-3-20-10-5-8(6-16-2)4-9(14)12(10)21-7-11(18)17-13(15)19/h4-5,16H,3,6-7H2,1-2H3,(H3,15,17,18,19)
InChIKeyVIZFUBYUPWMKJR-UHFFFAOYSA-N
XLogP1.14
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742179
4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63892028
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
3-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900624
2-[2-bromo-6-ethoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 4722322
1-[3-bromo-4-[(E)-but-2-enoxy]-5-ethoxyphenyl]-N-methylmethanamine
CID 60889104
N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167
N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
CID 28561787
N-carbamoyl-2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]propanamide
CID 107741741
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
CID 65457314

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide (CID 43626905) is 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide is CCOc1cc(CNC)cc(Br)c1OCC(=O)NC(N)=O.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide?
The InChIKey is VIZFUBYUPWMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O4/c1-3-20-10-5-8(6-16-2)4-9(14)12(10)21-7-11(18)17-13(15)19/h4-5,16H,3,6-7H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide?
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide has a molecular weight of 360.21 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 43626905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).