2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide

C17H25N3O4 — CID 13242802

IUPAC2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide
SMILESCC(C)CCNC(=O)CNC(=O)C(Cc1ccccc1)C(=O)NO
InChIInChI=1S/C17H25N3O4/c1-12(2)8-9-18-15(21)11-19-16(22)14(17(23)20-24)10-13-6-4-3-5-7-13/h3-7,12,14,24H,8-11H2,1-2H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyZXDSFFOCXPBPSS-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.63
Rot. Bonds9

About 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide

2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide (PubChem CID 13242802) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide.

Molecular Properties

Compound Name2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide
PubChem CID13242802
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide
SMILESCC(C)CCNC(=O)CNC(=O)C(Cc1ccccc1)C(=O)NO
InChIInChI=1S/C17H25N3O4/c1-12(2)8-9-18-15(21)11-19-16(22)14(17(23)20-24)10-13-6-4-3-5-7-13/h3-7,12,14,24H,8-11H2,1-2H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyZXDSFFOCXPBPSS-UHFFFAOYSA-N
XLogP0.63
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
4-[[2-[2-[[2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]amino]ethyl]pentanoylamino]methyl]benzoic acid
CID 87165951
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
2-[(2-hydroxy-1-phenylethyl)amino]-N-(3-methylbutyl)acetamide
CID 63183041
tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 68573466
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide
CID 42696880
2-(2,6-diethylanilino)-N-(3-methylbutyl)acetamide
CID 62327341
(2S)-2-amino-N-[2-[6-(methylamino)hexylamino]-2-oxoethyl]-3-phenylpropanamide
CID 118485925
(2S)-2-[[2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]-methylamino]-4-methylpentanoic acid
CID 88685249
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 7819706

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide?
The IUPAC name of 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide (CID 13242802) is 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide.
What is the SMILES notation for 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide?
The canonical SMILES for 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide is CC(C)CCNC(=O)CNC(=O)C(Cc1ccccc1)C(=O)NO.
What is the InChIKey of 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide?
The InChIKey is ZXDSFFOCXPBPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(2)8-9-18-15(21)11-19-16(22)14(17(23)20-24)10-13-6-4-3-5-7-13/h3-7,12,14,24H,8-11H2,1-2H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide?
2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide has a molecular weight of 335.40 g/mol, XLogP of 0.63, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-hydroxy-N'-[2-(3-methylbutylamino)-2-oxoethyl]propanediamide is sourced from PubChem (CID 13242802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).