N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide

C10H18N2O3 — CID 167020342

IUPACN-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide
SMILESCC(C)C(=O)/C=C/CN(C)CC(=O)NO
InChIInChI=1S/C10H18N2O3/c1-8(2)9(13)5-4-6-12(3)7-10(14)11-15/h4-5,8,15H,6-7H2,1-3H3,(H,11,14)/b5-4+
InChIKeyRIUKHEDXFAILOA-SNAWJCMRSA-N
MW214.26 g/mol
LogP0.20
Rot. Bonds6

About N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide

N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide (PubChem CID 167020342) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide
PubChem CID167020342
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide
SMILESCC(C)C(=O)/C=C/CN(C)CC(=O)NO
InChIInChI=1S/C10H18N2O3/c1-8(2)9(13)5-4-6-12(3)7-10(14)11-15/h4-5,8,15H,6-7H2,1-3H3,(H,11,14)/b5-4+
InChIKeyRIUKHEDXFAILOA-SNAWJCMRSA-N
XLogP0.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide
CID 135165456
(E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one
CID 142388339
(E)-6-(dimethylamino)-2-methylhex-4-en-3-one;4-methylpent-1-en-3-one
CID 161106625
(E)-6-bromo-2-methylhex-4-en-3-one;ethane
CID 168909812
(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one
CID 135183413
(E)-7-methyl-6-oxooct-4-enoic acid
CID 176584292
methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate
CID 62335232
N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide
CID 142388322
(E)-6-[[2-[4-[(dimethylamino)methyl]-3-oxopent-4-en-2-yl]-3-(3-oxopent-4-en-2-yl)cyclopropyl]-methylamino]-2-methylhex-4-en-3-one
CID 146188172
propan-2-yl (E)-4-(dimethylamino)but-2-enoate
CID 143826764
N-hydroxy-2-[methyl(methylsulfonyl)amino]acetamide
CID 130678622
(E)-4-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]but-2-enoic acid
CID 167486900

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide (CID 167020342) is N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide is CC(C)C(=O)/C=C/CN(C)CC(=O)NO.
What is the InChIKey of N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide?
The InChIKey is RIUKHEDXFAILOA-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(2)9(13)5-4-6-12(3)7-10(14)11-15/h4-5,8,15H,6-7H2,1-3H3,(H,11,14)/b5-4+.
What are the key properties of N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide?
N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide has a molecular weight of 214.26 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide is sourced from PubChem (CID 167020342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).