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

C16H24N2O3 — CID 10851204

IUPACN-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(2)11-14(16(20)18-21)15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,21H,6,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXKYMHQLYNCGEBF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.90
Rot. Bonds8

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

N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide (PubChem CID 10851204) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide
PubChem CID10851204
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(2)11-14(16(20)18-21)15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,21H,6,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXKYMHQLYNCGEBF-UHFFFAOYSA-N
XLogP1.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.90
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-methylpropyl)-N'-(3-phenylpropyl)propanediamide?
The IUPAC name of N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide (CID 10851204) is N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide.
What is the SMILES notation for N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide?
The canonical SMILES for N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide is CC(C)CC(C(=O)NO)C(=O)NCCCc1ccccc1.
What is the InChIKey of N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide?
The InChIKey is XKYMHQLYNCGEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)11-14(16(20)18-21)15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14,21H,6,9-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide?
N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide has a molecular weight of 292.38 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-methylpropyl)-N'-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 10851204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).