N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide

C23H24N2O2 — CID 3124640

IUPACN-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CC(NCc1ccccc1)c1ccccc1O)NCc1ccccc1
InChIInChI=1S/C23H24N2O2/c26-22-14-8-7-13-20(22)21(24-16-18-9-3-1-4-10-18)15-23(27)25-17-19-11-5-2-6-12-19/h1-14,21,24,26H,15-17H2,(H,25,27)
InChIKeyDSSKCJOISIONHW-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.93
Rot. Bonds8

About N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide

N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide (PubChem CID 3124640) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide
PubChem CID3124640
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CC(NCc1ccccc1)c1ccccc1O)NCc1ccccc1
InChIInChI=1S/C23H24N2O2/c26-22-14-8-7-13-20(22)21(24-16-18-9-3-1-4-10-18)15-23(27)25-17-19-11-5-2-6-12-19/h1-14,21,24,26H,15-17H2,(H,25,27)
InChIKeyDSSKCJOISIONHW-UHFFFAOYSA-N
XLogP3.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.93
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-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide (CID 3124640) is N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide is O=C(CC(NCc1ccccc1)c1ccccc1O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide?
The InChIKey is DSSKCJOISIONHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22-14-8-7-13-20(22)21(24-16-18-9-3-1-4-10-18)15-23(27)25-17-19-11-5-2-6-12-19/h1-14,21,24,26H,15-17H2,(H,25,27).
What are the key properties of N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide?
N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide has a molecular weight of 360.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(benzylamino)-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 3124640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).