N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide

C14H22N2O3 — CID 12681817

IUPACN-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCC(O)c1cccc(O)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)14(19)16-7-6-15-9-13(18)11-4-3-5-12(17)8-11/h3-5,8,10,13,15,17-18H,6-7,9H2,1-2H3,(H,16,19)
InChIKeyOHDWNPYRUJZNNO-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.79
Rot. Bonds7

About N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide

N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide (PubChem CID 12681817) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide
PubChem CID12681817
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCC(O)c1cccc(O)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)14(19)16-7-6-15-9-13(18)11-4-3-5-12(17)8-11/h3-5,8,10,13,15,17-18H,6-7,9H2,1-2H3,(H,16,19)
InChIKeyOHDWNPYRUJZNNO-UHFFFAOYSA-N
XLogP0.79
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide (CID 12681817) is N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNCC(O)c1cccc(O)c1.
What is the InChIKey of N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is OHDWNPYRUJZNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)14(19)16-7-6-15-9-13(18)11-4-3-5-12(17)8-11/h3-5,8,10,13,15,17-18H,6-7,9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 12681817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).