N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride

C20H35Cl2N3O4 — CID 17053452

IUPACN-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
SMILESCOc1cccc(CNCCN2CCOCC2)c1OCC(=O)NC(C)(C)C.Cl.Cl
InChIInChI=1S/C20H33N3O4.2ClH/c1-20(2,3)22-18(24)15-27-19-16(6-5-7-17(19)25-4)14-21-8-9-23-10-12-26-13-11-23;;/h5-7,21H,8-15H2,1-4H3,(H,22,24);2*1H
InChIKeyUXZGDUWZXWHDRQ-UHFFFAOYSA-N
MW452.42 g/mol
LogP2.25
Rot. Bonds9

About N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride

N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride (PubChem CID 17053452) has the molecular formula C20H35Cl2N3O4 and a molecular weight of 452.42 g/mol. Its IUPAC name is N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
PubChem CID17053452
Molecular FormulaC20H35Cl2N3O4
Molecular Weight452.42 g/mol
Exact Mass451.20
IUPAC NameN-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
SMILESCOc1cccc(CNCCN2CCOCC2)c1OCC(=O)NC(C)(C)C.Cl.Cl
InChIInChI=1S/C20H33N3O4.2ClH/c1-20(2,3)22-18(24)15-27-19-16(6-5-7-17(19)25-4)14-21-8-9-23-10-12-26-13-11-23;;/h5-7,21H,8-15H2,1-4H3,(H,22,24);2*1H
InChIKeyUXZGDUWZXWHDRQ-UHFFFAOYSA-N
XLogP2.25
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide
CID 17053298
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
CID 6472728
N-tert-butyl-2-[2-methoxy-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053447
N-tert-butyl-2-[2-methoxy-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6471852
2-[5-bromo-2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 66538130
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053394
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 17053395
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride?
The IUPAC name of N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride (CID 17053452) is N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride.
What is the SMILES notation for N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride?
The canonical SMILES for N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride is COc1cccc(CNCCN2CCOCC2)c1OCC(=O)NC(C)(C)C.Cl.Cl.
What is the InChIKey of N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride?
The InChIKey is UXZGDUWZXWHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4.2ClH/c1-20(2,3)22-18(24)15-27-19-16(6-5-7-17(19)25-4)14-21-8-9-23-10-12-26-13-11-23;;/h5-7,21H,8-15H2,1-4H3,(H,22,24);2*1H.
What are the key properties of N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride?
N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride has a molecular weight of 452.42 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride is sourced from PubChem (CID 17053452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).