N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide

C16H31N3O4 — CID 22096280

IUPACN-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCCC(CN(O)C=O)C(=O)NC(C(=O)N(C)C)C(C)CC
InChIInChI=1S/C16H31N3O4/c1-6-8-9-13(10-19(23)11-20)15(21)17-14(12(3)7-2)16(22)18(4)5/h11-14,23H,6-10H2,1-5H3,(H,17,21)
InChIKeyHCVHTIQDTZGXED-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.26
Rot. Bonds11

About N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide

N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide (PubChem CID 22096280) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
PubChem CID22096280
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC NameN-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCCC(CN(O)C=O)C(=O)NC(C(=O)N(C)C)C(C)CC
InChIInChI=1S/C16H31N3O4/c1-6-8-9-13(10-19(23)11-20)15(21)17-14(12(3)7-2)16(22)18(4)5/h11-14,23H,6-10H2,1-5H3,(H,17,21)
InChIKeyHCVHTIQDTZGXED-UHFFFAOYSA-N
XLogP1.26
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59902226
N-(2-acetylhexyl)-N-hydroxyformamide
CID 142881718
(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
benzyl 2-(dimethylcarbamoyl)-4-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]butanoate
CID 87947779
(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 122408081
N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 87264686
N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 20752901
2-ethyl-N,N-dimethylhexanamide
CID 3019000
cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate
CID 59918989
methyl 1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidine-4-carboxylate
CID 22096255
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-(furan-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 21305227
N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide
CID 24760777

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The IUPAC name of N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide (CID 22096280) is N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide is CCCCC(CN(O)C=O)C(=O)NC(C(=O)N(C)C)C(C)CC.
What is the InChIKey of N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The InChIKey is HCVHTIQDTZGXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-6-8-9-13(10-19(23)11-20)15(21)17-14(12(3)7-2)16(22)18(4)5/h11-14,23H,6-10H2,1-5H3,(H,17,21).
What are the key properties of N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide has a molecular weight of 329.44 g/mol, XLogP of 1.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide is sourced from PubChem (CID 22096280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).