N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide

C17H20N2O2 — CID 43392265

IUPACN-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(20)19-16-9-7-14(8-10-16)11-18-12-17(21)15-5-3-2-4-6-15/h2-10,17-18,21H,11-12H2,1H3,(H,19,20)
InChIKeyYZLCERWWIGUZSX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds6

About N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide

N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide (PubChem CID 43392265) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide
PubChem CID43392265
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(20)19-16-9-7-14(8-10-16)11-18-12-17(21)15-5-3-2-4-6-15/h2-10,17-18,21H,11-12H2,1H3,(H,19,20)
InChIKeyYZLCERWWIGUZSX-UHFFFAOYSA-N
XLogP2.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide (CID 43392265) is N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC(O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide?
The InChIKey is YZLCERWWIGUZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(20)19-16-9-7-14(8-10-16)11-18-12-17(21)15-5-3-2-4-6-15/h2-10,17-18,21H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide?
N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 43392265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).