N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

C15H31N3O3 — CID 123941251

IUPACN-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCNCC(NC(=O)C(CC(=O)NO)CC(C)C)C(C)(C)C
InChIInChI=1S/C15H31N3O3/c1-10(2)7-11(8-13(19)18-21)14(20)17-12(9-16-6)15(3,4)5/h10-12,16,21H,7-9H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyGXOXIGYIQRAPIL-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.29
Rot. Bonds8

About N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 123941251) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
PubChem CID123941251
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC NameN-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCNCC(NC(=O)C(CC(=O)NO)CC(C)C)C(C)(C)C
InChIInChI=1S/C15H31N3O3/c1-10(2)7-11(8-13(19)18-21)14(20)17-12(9-16-6)15(3,4)5/h10-12,16,21H,7-9H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyGXOXIGYIQRAPIL-UHFFFAOYSA-N
XLogP1.29
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.29
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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Related Compounds

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide;3-[2-(dithiolan-4-yl)ethyl]-N-hydroxy-5-methylhexanamide
CID 158507208
N'-hydroxy-N-[(2S)-1-(methylamino)-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 143203076
(2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 73214073
propan-2-yl (2S)-2-[[(2R)-2-[[2-(hydroxyamino)-2-oxoethoxy]methyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoate
CID 57205167
(3S)-4-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 24850970
(2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 10668631
N-hydroxy-3-methylbutanamide
CID 13258739
N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 87854664
(3S)-4-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 24851030
(4S)-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 24850918
(2R)-N-[(2S)-1-(4-benzamidopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 11962301
(2R)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-methylbutanediamide
CID 135172784

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The IUPAC name of N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (CID 123941251) is N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The canonical SMILES for N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is CNCC(NC(=O)C(CC(=O)NO)CC(C)C)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The InChIKey is GXOXIGYIQRAPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-10(2)7-11(8-13(19)18-21)14(20)17-12(9-16-6)15(3,4)5/h10-12,16,21H,7-9H2,1-6H3,(H,17,20)(H,18,19).
What are the key properties of N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 301.43 g/mol, XLogP of 1.29, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 123941251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).