N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide

C19H29N3O4 — CID 4219

IUPACN'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)C(CCc1ccccc1)NC(=O)C(CC(=O)NO)CC(C)C
InChIInChI=1S/C19H29N3O4/c1-13(2)11-15(12-17(23)22-26)18(24)21-16(19(25)20-3)10-9-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyFQRZOEBSTPAQBJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.41
Rot. Bonds10

About N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide

N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide (PubChem CID 4219) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide
PubChem CID4219
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)C(CCc1ccccc1)NC(=O)C(CC(=O)NO)CC(C)C
InChIInChI=1S/C19H29N3O4/c1-13(2)11-15(12-17(23)22-26)18(24)21-16(19(25)20-3)10-9-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyFQRZOEBSTPAQBJ-UHFFFAOYSA-N
XLogP1.41
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.41
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'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide?
The IUPAC name of N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide (CID 4219) is N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide?
The canonical SMILES for N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide is CNC(=O)C(CCc1ccccc1)NC(=O)C(CC(=O)NO)CC(C)C.
What is the InChIKey of N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide?
The InChIKey is FQRZOEBSTPAQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13(2)11-15(12-17(23)22-26)18(24)21-16(19(25)20-3)10-9-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide?
N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide has a molecular weight of 363.46 g/mol, XLogP of 1.41, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[1-(methylamino)-1-oxo-4-phenylbutan-2-yl]-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 4219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).