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

C19H22N2O3 — CID 10592233

IUPAC2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide
SMILESO=C(NO)C(Cc1ccccc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H22N2O3/c22-18(20-13-7-12-15-8-3-1-4-9-15)17(19(23)21-24)14-16-10-5-2-6-11-16/h1-6,8-11,17,24H,7,12-14H2,(H,20,22)(H,21,23)
InChIKeyCQGGQNFRJIAPHA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.10
Rot. Bonds8

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

2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide (PubChem CID 10592233) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound Name2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide
PubChem CID10592233
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide
SMILESO=C(NO)C(Cc1ccccc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H22N2O3/c22-18(20-13-7-12-15-8-3-1-4-9-15)17(19(23)21-24)14-16-10-5-2-6-11-16/h1-6,8-11,17,24H,7,12-14H2,(H,20,22)(H,21,23)
InChIKeyCQGGQNFRJIAPHA-UHFFFAOYSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.10
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 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide?
The IUPAC name of 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide (CID 10592233) is 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide.
What is the SMILES notation for 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide?
The canonical SMILES for 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide is O=C(NO)C(Cc1ccccc1)C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide?
The InChIKey is CQGGQNFRJIAPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(20-13-7-12-15-8-3-1-4-9-15)17(19(23)21-24)14-16-10-5-2-6-11-16/h1-6,8-11,17,24H,7,12-14H2,(H,20,22)(H,21,23).
What are the key properties of 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide?
2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide has a molecular weight of 326.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 10592233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).