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

C17H20N2O2 — CID 63324909

IUPACN-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
SMILESCc1ccc(O)c(CNCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-7-8-16(20)15(9-13)11-18-12-17(21)19-10-14-5-3-2-4-6-14/h2-9,18,20H,10-12H2,1H3,(H,19,21)
InChIKeyBZPXVUTXWFKNSC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.11
Rot. Bonds6

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

N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide (PubChem CID 63324909) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
PubChem CID63324909
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
SMILESCc1ccc(O)c(CNCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-7-8-16(20)15(9-13)11-18-12-17(21)19-10-14-5-3-2-4-6-14/h2-9,18,20H,10-12H2,1H3,(H,19,21)
InChIKeyBZPXVUTXWFKNSC-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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

N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 103948345
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide
CID 61317882
N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
CID 62475319
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
3-[[(2-hydroxy-5-methylphenyl)methylamino]methyl]benzoic acid
CID 84761692
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 27377336
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide (CID 63324909) is N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide is Cc1ccc(O)c(CNCC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide?
The InChIKey is BZPXVUTXWFKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-7-8-16(20)15(9-13)11-18-12-17(21)19-10-14-5-3-2-4-6-14/h2-9,18,20H,10-12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide?
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 63324909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).