N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride

C18H31ClN2O4 — CID 17053394

IUPACN-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cccc(CNC(C)(C)CO)c1OCC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C18H30N2O4.ClH/c1-17(2,3)20-15(22)11-24-16-13(8-7-9-14(16)23-6)10-19-18(4,5)12-21;/h7-9,19,21H,10-12H2,1-6H3,(H,20,22);1H
InChIKeyIXRORADQCCPGMB-UHFFFAOYSA-N
MW374.91 g/mol
LogP2.27
Rot. Bonds8

About N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride

N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride (PubChem CID 17053394) has the molecular formula C18H31ClN2O4 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
PubChem CID17053394
Molecular FormulaC18H31ClN2O4
Molecular Weight374.91 g/mol
Exact Mass374.20
IUPAC NameN-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cccc(CNC(C)(C)CO)c1OCC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C18H30N2O4.ClH/c1-17(2,3)20-15(22)11-24-16-13(8-7-9-14(16)23-6)10-19-18(4,5)12-21;/h7-9,19,21H,10-12H2,1-6H3,(H,20,22);1H
InChIKeyIXRORADQCCPGMB-UHFFFAOYSA-N
XLogP2.27
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride with MolForge

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Related Compounds

N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 17053395
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
CID 6472728
N-tert-butyl-2-[2-methoxy-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6471852
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
CID 17057784
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
2-[2-methoxy-6-(methylaminomethyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486522
N-tert-butyl-2-[2-methoxy-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053447
N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
CID 17057628
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 17053452
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride (CID 17053394) is N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride is COc1cccc(CNC(C)(C)CO)c1OCC(=O)NC(C)(C)C.Cl.
What is the InChIKey of N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride?
The InChIKey is IXRORADQCCPGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4.ClH/c1-17(2,3)20-15(22)11-24-16-13(8-7-9-14(16)23-6)10-19-18(4,5)12-21;/h7-9,19,21H,10-12H2,1-6H3,(H,20,22);1H.
What are the key properties of N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride?
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17053394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).