(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide

C17H33N3O4 — CID 11244827

IUPAC(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C17H33N3O4/c1-7-8-9-10-13(11-20(24)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14,24H,7-11H2,1-6H3,(H,18,22)/t13-,14-/m1/s1
InChIKeyVCJSQPUBQACCSW-ZIAGYGMSSA-N
MW343.47 g/mol
LogP1.65
Rot. Bonds10

About (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide

(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide (PubChem CID 11244827) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
PubChem CID11244827
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Name(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C17H33N3O4/c1-7-8-9-10-13(11-20(24)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14,24H,7-11H2,1-6H3,(H,18,22)/t13-,14-/m1/s1
InChIKeyVCJSQPUBQACCSW-ZIAGYGMSSA-N
XLogP1.65
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

BB 3497
CID 159596
(R)-2-Butyl-N*1*-((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-N*4*-hydroxy-succinamide
CID 9905539
N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1,4diaza-cyclopentadec-6-ylmethyl)-N-hydroxy-formamide
CID 9976380
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 16036657
(R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-2-hexadecyl-N4-hydroxysuccinamide
CID 44302167
N-[[(3S)-3-tert-butyl-2,5-dioxo-1,4-diazacyclopentadec-6-yl]methyl]-N-hydroxyformamide
CID 44348426
(R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-octylsuccinamide
CID 10474389
N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacycloheptadec-6-yl]methyl]-N-hydroxyformamide
CID 11176960
N-[[(3S,6R)-3-tert-butyl-2,5-dioxo-1,4-diazacyclohexadec-6-yl]methyl]-N-hydroxyformamide
CID 11199948
(R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-tetradecylsuccinamide
CID 44302430
(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid [2-cyclohexyl-1-((S)-dimethyl-carbamoyl)-ethyl]-amide
CID 9842284
(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid [5-dimethylamino-1-((S)-dimethyl-carbamoyl)-pentyl]-amide
CID 9953314

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide?
The IUPAC name of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide (CID 11244827) is (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide?
The canonical SMILES for (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide is CCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C.
What is the InChIKey of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide?
The InChIKey is VCJSQPUBQACCSW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-7-8-9-10-13(11-20(24)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14,24H,7-11H2,1-6H3,(H,18,22)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide?
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide has a molecular weight of 343.47 g/mol, XLogP of 1.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide is sourced from PubChem (CID 11244827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).