2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide

C13H20N2O2 — CID 82978295

IUPAC2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C(C)c1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)15(8-13(14)17)10(3)11-4-6-12(16)7-5-11/h4-7,9-10,16H,8H2,1-3H3,(H2,14,17)
InChIKeyOGRLGQXQPCLKQD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.65
Rot. Bonds5

About 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide

2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide (PubChem CID 82978295) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide
PubChem CID82978295
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C(C)c1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)15(8-13(14)17)10(3)11-4-6-12(16)7-5-11/h4-7,9-10,16H,8H2,1-3H3,(H2,14,17)
InChIKeyOGRLGQXQPCLKQD-UHFFFAOYSA-N
XLogP1.65
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]acetamide
CID 82978784
2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65057052
(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide
CID 66657977
4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol
CID 82982782
2-[3-oxopentan-2-yl(propan-2-yl)amino]acetamide
CID 64866062
2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 80505706
2-[(1-oxo-1-phenylpropan-2-yl)-propan-2-ylamino]acetamide
CID 60680052
2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide
CID 103101327
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
2-[1-[4-(difluoromethoxy)phenyl]ethyl-propan-2-ylamino]acetic acid
CID 65056837
2-[3-oxobutan-2-yl(propan-2-yl)amino]acetamide
CID 62036844
3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide (CID 82978295) is 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)C(C)c1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide?
The InChIKey is OGRLGQXQPCLKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)15(8-13(14)17)10(3)11-4-6-12(16)7-5-11/h4-7,9-10,16H,8H2,1-3H3,(H2,14,17).
What are the key properties of 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide?
2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 82978295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).