N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide

C16H18N2O2 — CID 60972318

IUPACN-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1ccccc1O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-15-9-5-4-8-14(15)11-17-12-16(20)18-10-13-6-2-1-3-7-13/h1-9,17,19H,10-12H2,(H,18,20)
InChIKeyHRYXPDGAVOGZBY-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.80
Rot. Bonds6

About N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide

N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide (PubChem CID 60972318) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide
PubChem CID60972318
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1ccccc1O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-15-9-5-4-8-14(15)11-17-12-16(20)18-10-13-6-2-1-3-7-13/h1-9,17,19H,10-12H2,(H,18,20)
InChIKeyHRYXPDGAVOGZBY-UHFFFAOYSA-N
XLogP1.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide (CID 60972318) is N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide is O=C(CNCc1ccccc1O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide?
The InChIKey is HRYXPDGAVOGZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15-9-5-4-8-14(15)11-17-12-16(20)18-10-13-6-2-1-3-7-13/h1-9,17,19H,10-12H2,(H,18,20).
What are the key properties of N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide?
N-benzyl-2-[(2-hydroxyphenyl)methylamino]acetamide has a molecular weight of 270.33 g/mol, XLogP of 1.80, 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-hydroxyphenyl)methylamino]acetamide is sourced from PubChem (CID 60972318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).