N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide

C14H22N2O3 — CID 115356029

IUPACN-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1cc(O)ccc1O
InChIInChI=1S/C14H22N2O3/c1-9(11-7-10(17)5-6-12(11)18)15-8-13(19)16-14(2,3)4/h5-7,9,15,17-18H,8H2,1-4H3,(H,16,19)
InChIKeyNXLIGSHHDVNRKZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.66
Rot. Bonds4

About N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide

N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide (PubChem CID 115356029) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide
PubChem CID115356029
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1cc(O)ccc1O
InChIInChI=1S/C14H22N2O3/c1-9(11-7-10(17)5-6-12(11)18)15-8-13(19)16-14(2,3)4/h5-7,9,15,17-18H,8H2,1-4H3,(H,16,19)
InChIKeyNXLIGSHHDVNRKZ-UHFFFAOYSA-N
XLogP1.66
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
2-[1-[(4-hydroxy-2,2-dimethylbutyl)amino]ethyl]benzene-1,4-diol
CID 106143682
2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide
CID 103776829
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide
CID 61210705
2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
CID 54913339
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]benzene-1,4-diol
CID 104827658
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide (CID 115356029) is N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide is CC(NCC(=O)NC(C)(C)C)c1cc(O)ccc1O.
What is the InChIKey of N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide?
The InChIKey is NXLIGSHHDVNRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(11-7-10(17)5-6-12(11)18)15-8-13(19)16-14(2,3)4/h5-7,9,15,17-18H,8H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide?
N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 115356029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).