2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide

C24H36N2O3 — CID 1017360

IUPAC2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
SMILESCOc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C24H36N2O3/c1-24(2,3)26-22(27)14-29-20-6-5-15(12-21(20)28-4)13-25-23-18-8-16-7-17(10-18)11-19(23)9-16/h5-6,12,16-19,23,25H,7-11,13-14H2,1-4H3,(H,26,27)
InChIKeySHXWJBJFUSXLRS-UHFFFAOYSA-N
MW400.56 g/mol
LogP3.90
Rot. Bonds7

About 2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide

2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide (PubChem CID 1017360) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is 2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
PubChem CID1017360
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
SMILESCOc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C24H36N2O3/c1-24(2,3)26-22(27)14-29-20-6-5-15(12-21(20)28-4)13-25-23-18-8-16-7-17(10-18)11-19(23)9-16/h5-6,12,16-19,23,25H,7-11,13-14H2,1-4H3,(H,26,27)
InChIKeySHXWJBJFUSXLRS-UHFFFAOYSA-N
XLogP3.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine
CID 29225745
N-tert-butyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 17155997
N-tert-butyl-2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525569
5-[(2-adamantylamino)methyl]-2-methoxyphenol
CID 43221925
2-[4-[(2-adamantylamino)methyl]-5-chloro-2-ethoxyphenoxy]-N-tert-butylacetamide
CID 66531389
3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 17058704
N-tert-butyl-2-[2-methoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4721018
N-tert-butyl-2-[2-methoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 40761551
N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525764
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
N-tert-butyl-2-[4-[[2-(2-hydroxypropylamino)ethylamino]methyl]-2-methoxyphenoxy]acetamide;dihydrochloride
CID 17295544
N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 17208545

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide (CID 1017360) is 2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide is COc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide?
The InChIKey is SHXWJBJFUSXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-24(2,3)26-22(27)14-29-20-6-5-15(12-21(20)28-4)13-25-23-18-8-16-7-17(10-18)11-19(23)9-16/h5-6,12,16-19,23,25H,7-11,13-14H2,1-4H3,(H,26,27).
What are the key properties of 2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide?
2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide has a molecular weight of 400.56 g/mol, XLogP of 3.90, 7 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-methoxyphenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 1017360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).