N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide

C17H20N2O2 — CID 63324854

IUPACN-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2cc(C)ccc2O)c1
InChIInChI=1S/C17H20N2O2/c1-11-4-7-17(21)14(8-11)10-18-16-9-15(19-13(3)20)6-5-12(16)2/h4-9,18,21H,10H2,1-3H3,(H,19,20)
InChIKeyWDVSERLABBNXEJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.58
Rot. Bonds4

About N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide

N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide (PubChem CID 63324854) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
PubChem CID63324854
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2cc(C)ccc2O)c1
InChIInChI=1S/C17H20N2O2/c1-11-4-7-17(21)14(8-11)10-18-16-9-15(19-13(3)20)6-5-12(16)2/h4-9,18,21H,10H2,1-3H3,(H,19,20)
InChIKeyWDVSERLABBNXEJ-UHFFFAOYSA-N
XLogP3.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
CID 63324723
N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
CID 60961965
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
CID 55060453
2-(2,5-dimethylphenyl)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 64793457

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide (CID 63324854) is N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2cc(C)ccc2O)c1.
What is the InChIKey of N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide?
The InChIKey is WDVSERLABBNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-4-7-17(21)14(8-11)10-18-16-9-15(19-13(3)20)6-5-12(16)2/h4-9,18,21H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide?
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 63324854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).