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

C18H22N2O2 — CID 51089441

IUPACN-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-3-7-16(8-4-13)18(22)12-19-11-15-5-9-17(10-6-15)20-14(2)21/h3-10,18-19,22H,11-12H2,1-2H3,(H,20,21)
InChIKeyWTVGPFFCYNONIK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.78
Rot. Bonds6

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

N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide (PubChem CID 51089441) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
PubChem CID51089441
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-3-7-16(8-4-13)18(22)12-19-11-15-5-9-17(10-6-15)20-14(2)21/h3-10,18-19,22H,11-12H2,1-2H3,(H,20,21)
InChIKeyWTVGPFFCYNONIK-UHFFFAOYSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.78
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-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide (CID 51089441) is N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC(O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide?
The InChIKey is WTVGPFFCYNONIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-3-7-16(8-4-13)18(22)12-19-11-15-5-9-17(10-6-15)20-14(2)21/h3-10,18-19,22H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide?
N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.78, 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-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 51089441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).