N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide

C14H22N2O2 — CID 113293150

IUPACN-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-10(11-6-5-7-12(17)8-11)15-9-13(18)16-14(2,3)4/h5-8,10,15,17H,9H2,1-4H3,(H,16,18)
InChIKeyVGLBUVFGBZKIEG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.96
Rot. Bonds4

About N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide

N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide (PubChem CID 113293150) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
PubChem CID113293150
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-10(11-6-5-7-12(17)8-11)15-9-13(18)16-14(2,3)4/h5-8,10,15,17H,9H2,1-4H3,(H,16,18)
InChIKeyVGLBUVFGBZKIEG-UHFFFAOYSA-N
XLogP1.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
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CID 115356029
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
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CID 62842048
N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 61172776
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 81371630
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141752
3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol
CID 124596699
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
CID 43203138

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide (CID 113293150) is N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide is CC(NCC(=O)NC(C)(C)C)c1cccc(O)c1.
What is the InChIKey of N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide?
The InChIKey is VGLBUVFGBZKIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(11-6-5-7-12(17)8-11)15-9-13(18)16-14(2,3)4/h5-8,10,15,17H,9H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide?
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 113293150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).