N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide

C16H30N2O4 — CID 24759835

IUPACN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)C(C)C)C(C)C
InChIInChI=1S/C16H30N2O4/c1-6-7-8-13(9-18(22)10-19)15(20)14(11(2)3)17-16(21)12(4)5/h10-14,22H,6-9H2,1-5H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyWQMYAUZXPLZQMT-KGLIPLIRSA-N
MW314.43 g/mol
LogP2.01
Rot. Bonds11

About N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide

N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide (PubChem CID 24759835) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide
PubChem CID24759835
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC NameN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)C(C)C)C(C)C
InChIInChI=1S/C16H30N2O4/c1-6-7-8-13(9-18(22)10-19)15(20)14(11(2)3)17-16(21)12(4)5/h10-14,22H,6-9H2,1-5H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyWQMYAUZXPLZQMT-KGLIPLIRSA-N
XLogP2.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.01
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-((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
(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 ((S)-1-acetyl-2,2-dimethyl-propyl)-amide
CID 10424884
(R)-2-[(Formyl-hydroxy-amino)-methyl]-heptanoic acid [5-amino-1-((S)-hexylcarbamoyl)-pentyl]-amide
CID 11154219
(R)-2-[(Formyl-hydroxy-amino)-methyl]-decanoic acid [1-((S)-dimethyl-carbamoyl)-2,2-dimethyl-propyl]-amide
CID 44324347
(R)-2-[(Formyl-hydroxy-amino)-methyl]-nonanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
CID 44324348
(R)-2-[1-(Formyl-hydroxy-amino)-ethyl]-hexanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
CID 44324677
N-((2R,4S)-2-butyl-4-(3-isopropylureido)-5-methyl-3-oxohexyl)-N-hydroxyformamide
CID 53320565
N-[4-[(2S,14R)-14-[[formyl(hydroxy)amino]methyl]-3,15-dioxo-1,4-diazacyclopentadec-2-yl]butyl]acetamide
CID 11154542

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide (CID 24759835) is N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)C(C)C)C(C)C.
What is the InChIKey of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide?
The InChIKey is WQMYAUZXPLZQMT-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-6-7-8-13(9-18(22)10-19)15(20)14(11(2)3)17-16(21)12(4)5/h10-14,22H,6-9H2,1-5H3,(H,17,21)/t13-,14+/m1/s1.
What are the key properties of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide?
N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide has a molecular weight of 314.43 g/mol, XLogP of 2.01, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methylpropanamide is sourced from PubChem (CID 24759835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).