N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide

C20H24N2O3 — CID 10337314

IUPACN-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide
SMILESO=C(NO)C(CCc1ccccc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-19(21-15-7-12-16-8-3-1-4-9-16)18(20(24)22-25)14-13-17-10-5-2-6-11-17/h1-6,8-11,18,25H,7,12-15H2,(H,21,23)(H,22,24)
InChIKeyXKSDROXJWZNHOT-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.49
Rot. Bonds9

About N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide

N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide (PubChem CID 10337314) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide
PubChem CID10337314
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide
SMILESO=C(NO)C(CCc1ccccc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-19(21-15-7-12-16-8-3-1-4-9-16)18(20(24)22-25)14-13-17-10-5-2-6-11-17/h1-6,8-11,18,25H,7,12-15H2,(H,21,23)(H,22,24)
InChIKeyXKSDROXJWZNHOT-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide?
The IUPAC name of N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide (CID 10337314) is N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide.
What is the SMILES notation for N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide?
The canonical SMILES for N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide is O=C(NO)C(CCc1ccccc1)C(=O)NCCCc1ccccc1.
What is the InChIKey of N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide?
The InChIKey is XKSDROXJWZNHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(21-15-7-12-16-8-3-1-4-9-16)18(20(24)22-25)14-13-17-10-5-2-6-11-17/h1-6,8-11,18,25H,7,12-15H2,(H,21,23)(H,22,24).
What are the key properties of N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide?
N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide has a molecular weight of 340.42 g/mol, XLogP of 2.49, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-phenylethyl)-N'-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 10337314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).