N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide

C25H33N3O4 — CID 75018100

IUPACN-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide
SMILESCC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C25H33N3O4/c1-25(2,3)22(24(31)26-20-15-8-5-9-16-20)27-23(30)19(17-21(29)28-32)14-10-13-18-11-6-4-7-12-18/h4-9,11-12,15-16,19,22,32H,10,13-14,17H2,1-3H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyJGLOGDIUSBZLOV-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.69
Rot. Bonds10

About N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide

N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide (PubChem CID 75018100) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide.

Molecular Properties

Compound NameN-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide
PubChem CID75018100
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide
SMILESCC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C25H33N3O4/c1-25(2,3)22(24(31)26-20-15-8-5-9-16-20)27-23(30)19(17-21(29)28-32)14-10-13-18-11-6-4-7-12-18/h4-9,11-12,15-16,19,22,32H,10,13-14,17H2,1-3H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyJGLOGDIUSBZLOV-UHFFFAOYSA-N
XLogP3.69
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
The IUPAC name of N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide (CID 75018100) is N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide.
What is the SMILES notation for N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
The canonical SMILES for N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide is CC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
The InChIKey is JGLOGDIUSBZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-25(2,3)22(24(31)26-20-15-8-5-9-16-20)27-23(30)19(17-21(29)28-32)14-10-13-18-11-6-4-7-12-18/h4-9,11-12,15-16,19,22,32H,10,13-14,17H2,1-3H3,(H,26,31)(H,27,30)(H,28,29).
What are the key properties of N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide has a molecular weight of 439.56 g/mol, XLogP of 3.69, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide is sourced from PubChem (CID 75018100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).