tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate

C17H28N2O4 — CID 104582196

IUPACtert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate
SMILESCOc1ccc(C(C)NCCN(C)C(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C17H28N2O4/c1-12(14-8-7-13(22-6)11-15(14)20)18-9-10-19(5)16(21)23-17(2,3)4/h7-8,11-12,18,20H,9-10H2,1-6H3
InChIKeyUFUDZWFQVCKMHZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.92
Rot. Bonds6

About tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate (PubChem CID 104582196) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate
PubChem CID104582196
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate
SMILESCOc1ccc(C(C)NCCN(C)C(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C17H28N2O4/c1-12(14-8-7-13(22-6)11-15(14)20)18-9-10-19(5)16(21)23-17(2,3)4/h7-8,11-12,18,20H,9-10H2,1-6H3
InChIKeyUFUDZWFQVCKMHZ-UHFFFAOYSA-N
XLogP2.92
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
CID 104582210
tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
CID 73056972
tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103920808
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
tert-butyl N-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780582
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141611
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651
tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate
CID 107245057
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate (CID 104582196) is tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate is COc1ccc(C(C)NCCN(C)C(=O)OC(C)(C)C)c(O)c1.
What is the InChIKey of tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate?
The InChIKey is UFUDZWFQVCKMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(14-8-7-13(22-6)11-15(14)20)18-9-10-19(5)16(21)23-17(2,3)4/h7-8,11-12,18,20H,9-10H2,1-6H3.
What are the key properties of tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate has a molecular weight of 324.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 104582196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).