2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide

C21H29BrN2O3 — CID 4721754

IUPAC2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Br)c1OCC(N)=O
InChIInChI=1S/C21H29BrN2O3/c1-2-26-18-9-14(8-17(22)21(18)27-11-19(23)25)10-24-20-15-4-12-3-13(6-15)7-16(20)5-12/h8-9,12-13,15-16,20,24H,2-7,10-11H2,1H3,(H2,23,25)
InChIKeyRZLRNJFVJCPAOR-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.63
Rot. Bonds8

About 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide

2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide (PubChem CID 4721754) has the molecular formula C21H29BrN2O3 and a molecular weight of 437.38 g/mol. Its IUPAC name is 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide
PubChem CID4721754
Molecular FormulaC21H29BrN2O3
Molecular Weight437.38 g/mol
Exact Mass436.14
IUPAC Name2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Br)c1OCC(N)=O
InChIInChI=1S/C21H29BrN2O3/c1-2-26-18-9-14(8-17(22)21(18)27-11-19(23)25)10-24-20-15-4-12-3-13(6-15)7-16(20)5-12/h8-9,12-13,15-16,20,24H,2-7,10-11H2,1H3,(H2,23,25)
InChIKeyRZLRNJFVJCPAOR-UHFFFAOYSA-N
XLogP3.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide 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

2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide
CID 653263
2-[2-bromo-6-ethoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 4722322
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]adamantan-2-amine
CID 4722276
2-[4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-bromo-6-ethoxyphenoxy]acetamide;dihydrochloride
CID 17159140
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4720829
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 43626905
2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4721368
2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide
CID 17155901
3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
CID 43626960
2-[2-bromo-4-[[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]methyl]-6-ethoxyphenoxy]acetamide
CID 41183350

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide (CID 4721754) is 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide is CCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Br)c1OCC(N)=O.
What is the InChIKey of 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide?
The InChIKey is RZLRNJFVJCPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN2O3/c1-2-26-18-9-14(8-17(22)21(18)27-11-19(23)25)10-24-20-15-4-12-3-13(6-15)7-16(20)5-12/h8-9,12-13,15-16,20,24H,2-7,10-11H2,1H3,(H2,23,25).
What are the key properties of 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide?
2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide has a molecular weight of 437.38 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide is sourced from PubChem (CID 4721754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).