N,2-dibenzyl-N'-hydroxypropanediamide

C17H18N2O3 — CID 10709191

IUPACN,2-dibenzyl-N'-hydroxypropanediamide
SMILESO=C(NO)C(Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16(18-12-14-9-5-2-6-10-14)15(17(21)19-22)11-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2,(H,18,20)(H,19,21)
InChIKeyWKIMWNKNDQXNCK-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.67
Rot. Bonds6

About N,2-dibenzyl-N'-hydroxypropanediamide

N,2-dibenzyl-N'-hydroxypropanediamide (PubChem CID 10709191) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N,2-dibenzyl-N'-hydroxypropanediamide.

Molecular Properties

Compound NameN,2-dibenzyl-N'-hydroxypropanediamide
PubChem CID10709191
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN,2-dibenzyl-N'-hydroxypropanediamide
SMILESO=C(NO)C(Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16(18-12-14-9-5-2-6-10-14)15(17(21)19-22)11-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2,(H,18,20)(H,19,21)
InChIKeyWKIMWNKNDQXNCK-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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,2-dibenzyl-N'-hydroxypropanediamide?
The IUPAC name of N,2-dibenzyl-N'-hydroxypropanediamide (CID 10709191) is N,2-dibenzyl-N'-hydroxypropanediamide.
What is the SMILES notation for N,2-dibenzyl-N'-hydroxypropanediamide?
The canonical SMILES for N,2-dibenzyl-N'-hydroxypropanediamide is O=C(NO)C(Cc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of N,2-dibenzyl-N'-hydroxypropanediamide?
The InChIKey is WKIMWNKNDQXNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(18-12-14-9-5-2-6-10-14)15(17(21)19-22)11-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2,(H,18,20)(H,19,21).
What are the key properties of N,2-dibenzyl-N'-hydroxypropanediamide?
N,2-dibenzyl-N'-hydroxypropanediamide has a molecular weight of 298.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dibenzyl-N'-hydroxypropanediamide is sourced from PubChem (CID 10709191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).