N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide

C17H20N2O2 — CID 125464014

IUPACN-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(CN[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-12(14-6-4-3-5-7-14)18-11-15-10-16(19-13(2)20)8-9-17(15)21/h3-10,12,18,21H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyLKISZTUQFXGDDI-LBPRGKRZSA-N
MW284.36 g/mol
LogP3.20
Rot. Bonds5

About N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide

N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide (PubChem CID 125464014) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide
PubChem CID125464014
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(CN[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-12(14-6-4-3-5-7-14)18-11-15-10-16(19-13(2)20)8-9-17(15)21/h3-10,12,18,21H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyLKISZTUQFXGDDI-LBPRGKRZSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[(1-phenylethylamino)methyl]phenol
CID 3669487
4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
CID 71178152
N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide
CID 47091161
N-[3-[1-[[2-(ethoxymethyl)phenyl]methylamino]ethyl]phenyl]acetamide
CID 119164918
N-[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 66417848
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide
CID 67762654
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
CID 43694661

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide (CID 125464014) is N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(O)c(CN[C@@H](C)c2ccccc2)c1.
What is the InChIKey of N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide?
The InChIKey is LKISZTUQFXGDDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(14-6-4-3-5-7-14)18-11-15-10-16(19-13(2)20)8-9-17(15)21/h3-10,12,18,21H,11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide?
N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 125464014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).