2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride

C23H35ClN2O2 — CID 126460198

IUPAC2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.Cl
InChIInChI=1S/C23H34N2O2.ClH/c1-22(2,3)25-21(26)15-27-20-6-4-16(5-7-20)14-24-23-11-17-8-18(12-23)10-19(9-17)13-23;/h4-7,17-19,24H,8-15H2,1-3H3,(H,25,26);1H
InChIKeyDOKDSNOZZDBUSQ-UHFFFAOYSA-N
MW407.00 g/mol
LogP4.46
Rot. Bonds6

About 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride

2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride (PubChem CID 126460198) has the molecular formula C23H35ClN2O2 and a molecular weight of 407.00 g/mol. Its IUPAC name is 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
PubChem CID126460198
Molecular FormulaC23H35ClN2O2
Molecular Weight407.00 g/mol
Exact Mass406.24
IUPAC Name2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.Cl
InChIInChI=1S/C23H34N2O2.ClH/c1-22(2,3)25-21(26)15-27-20-6-4-16(5-7-20)14-24-23-11-17-8-18(12-23)10-19(9-17)13-23;/h4-7,17-19,24H,8-15H2,1-3H3,(H,25,26);1H
InChIKeyDOKDSNOZZDBUSQ-UHFFFAOYSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride 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-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17295535
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17215561
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
CID 17215562
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
2-[4-(2-aminopropyl)phenoxy]-N-tert-butylacetamide
CID 54930613
2-[4-[(1,3-benzodioxol-5-ylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 66525587
methyl (E)-3-[4-[(1-adamantylamino)methyl]phenyl]prop-2-enoate
CID 58415743
N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17155994
N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide
CID 17208957

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride?
The IUPAC name of 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride (CID 126460198) is 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride?
The canonical SMILES for 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride is CC(C)(C)NC(=O)COc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.Cl.
What is the InChIKey of 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride?
The InChIKey is DOKDSNOZZDBUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2.ClH/c1-22(2,3)25-21(26)15-27-20-6-4-16(5-7-20)14-24-23-11-17-8-18(12-23)10-19(9-17)13-23;/h4-7,17-19,24H,8-15H2,1-3H3,(H,25,26);1H.
What are the key properties of 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride?
2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride has a molecular weight of 407.00 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride is sourced from PubChem (CID 126460198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).