(2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide

C15H28N2O4 — CID 10424884

IUPAC(2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(C)=O)C(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-6-7-8-12(9-17(21)10-18)14(20)16-13(11(2)19)15(3,4)5/h10,12-13,21H,6-9H2,1-5H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyVUMMRHDUGBAWSA-CHWSQXEVSA-N
MW300.40 g/mol
LogP1.76
Rot. Bonds9

About (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide

(2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide (PubChem CID 10424884) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
PubChem CID10424884
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(C)=O)C(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-6-7-8-12(9-17(21)10-18)14(20)16-13(11(2)19)15(3,4)5/h10,12-13,21H,6-9H2,1-5H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyVUMMRHDUGBAWSA-CHWSQXEVSA-N
XLogP1.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.76
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

BB 3497
CID 159596
N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1,4diaza-cyclopentadec-6-ylmethyl)-N-hydroxy-formamide
CID 9976380
N-[[(3S)-3-tert-butyl-2,5-dioxo-1,4-diazacyclopentadec-6-yl]methyl]-N-hydroxyformamide
CID 44348426
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
(S)-2-{(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoylamino}-3,3-dimethyl-butyric acid methyl ester
CID 9861728
(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid [5-dimethylamino-1-((S)-dimethyl-carbamoyl)-pentyl]-amide
CID 9953314
(R)-2-[(Formyl-hydroxy-amino)-methyl]-heptanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
CID 11244827
2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
CID 22096205
(S)-2-{(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoylamino}-3,3-dimethyl-butyric acid
CID 22894161
N-((3S,5R)-5-((N-hydroxyformamido)methyl)-2-methyl-4-oxononan-3-yl)isobutyramide
CID 24759835
(R)-2-[(Formyl-hydroxy-amino)-methyl]-decanoic acid [1-((S)-dimethyl-carbamoyl)-2,2-dimethyl-propyl]-amide
CID 44324347

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The IUPAC name of (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide (CID 10424884) is (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide.
What is the SMILES notation for (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The canonical SMILES for (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide is CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(C)=O)C(C)(C)C.
What is the InChIKey of (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
The InChIKey is VUMMRHDUGBAWSA-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-6-7-8-12(9-17(21)10-18)14(20)16-13(11(2)19)15(3,4)5/h10,12-13,21H,6-9H2,1-5H3,(H,16,20)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide?
(2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide has a molecular weight of 300.40 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide is sourced from PubChem (CID 10424884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).