N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride

C17H31Cl2N3O3 — CID 17295535

IUPACN-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc(CNCCNCCO)cc1.Cl.Cl
InChIInChI=1S/C17H29N3O3.2ClH/c1-17(2,3)20-16(22)13-23-15-6-4-14(5-7-15)12-19-9-8-18-10-11-21;;/h4-7,18-19,21H,8-13H2,1-3H3,(H,20,22);2*1H
InChIKeyGAKATXOUIXHWFU-UHFFFAOYSA-N
MW396.36 g/mol
LogP1.50
Rot. Bonds10

About N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride

N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride (PubChem CID 17295535) has the molecular formula C17H31Cl2N3O3 and a molecular weight of 396.36 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
PubChem CID17295535
Molecular FormulaC17H31Cl2N3O3
Molecular Weight396.36 g/mol
Exact Mass395.17
IUPAC NameN-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc(CNCCNCCO)cc1.Cl.Cl
InChIInChI=1S/C17H29N3O3.2ClH/c1-17(2,3)20-16(22)13-23-15-6-4-14(5-7-15)12-19-9-8-18-10-11-21;;/h4-7,18-19,21H,8-13H2,1-3H3,(H,20,22);2*1H
InChIKeyGAKATXOUIXHWFU-UHFFFAOYSA-N
XLogP1.50
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17215561
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
CID 17215562
N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide
CID 17208957
N-tert-butyl-2-[2-ethoxy-4-[[3-(2-hydroxyethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17214182
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165
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
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
2-[4-bromo-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]-N-tert-butylacetamide
CID 17053945
N,N-diethyl-2-[4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide
CID 82364486
2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 126460198

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride?
The IUPAC name of N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride (CID 17295535) is N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride.
What is the SMILES notation for N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride?
The canonical SMILES for N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride is CC(C)(C)NC(=O)COc1ccc(CNCCNCCO)cc1.Cl.Cl.
What is the InChIKey of N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride?
The InChIKey is GAKATXOUIXHWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3.2ClH/c1-17(2,3)20-16(22)13-23-15-6-4-14(5-7-15)12-19-9-8-18-10-11-21;;/h4-7,18-19,21H,8-13H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride?
N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 1.50, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride is sourced from PubChem (CID 17295535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).