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

C17H33N3O4 — CID 59902226

IUPACN-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
SMILESCCCCCC(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-ARLHGKGLSA-N
MW343.47 g/mol
LogP1.65
Rot. Bonds10

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

N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide (PubChem CID 59902226) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
PubChem CID59902226
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC NameN-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
SMILESCCCCCC(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-ARLHGKGLSA-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

(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide;(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 158362695
N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 22096280
(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 122408081
(2S)-2-[[2-[[formyl(hydroxy)amino]methyl]-3-piperidin-1-ylpropanoyl]amino]-N,N,3,3-tetramethylbutanamide;methane
CID 158875091
(2R)-N-[(2S)-1-(4-acetylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59921618
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 59902207
N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 20752901
N-[1-[benzyl(2-phenylethyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 22096262
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-(furan-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 21305227
N-(2-acetylhexyl)-N-hydroxyformamide
CID 142881718
methyl 1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidine-4-carboxylate
CID 22096255
(2S)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[hydroxy(phenylmethoxy)amino]methyl]hexanamide
CID 101132423

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide (CID 59902226) is N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide is CCCCCC(CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide?
The InChIKey is VCJSQPUBQACCSW-ARLHGKGLSA-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 N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide?
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 N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide is sourced from PubChem (CID 59902226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).