(Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide

C12H22N2O4 — CID 101200706

IUPAC(Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide
SMILESCNC(=O)C(C)C(O)/C=C\C(O)C(C)NC(C)=O
InChIInChI=1S/C12H22N2O4/c1-7(12(18)13-4)10(16)5-6-11(17)8(2)14-9(3)15/h5-8,10-11,16-17H,1-4H3,(H,13,18)(H,14,15)/b6-5-
InChIKeyCRBSFRWPZGEVGR-WAYWQWQTSA-N
MW258.32 g/mol
LogP-0.83
Rot. Bonds6

About (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide

(Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide (PubChem CID 101200706) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide.

Molecular Properties

Compound Name(Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide
PubChem CID101200706
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide
SMILESCNC(=O)C(C)C(O)/C=C\C(O)C(C)NC(C)=O
InChIInChI=1S/C12H22N2O4/c1-7(12(18)13-4)10(16)5-6-11(17)8(2)14-9(3)15/h5-8,10-11,16-17H,1-4H3,(H,13,18)(H,14,15)/b6-5-
InChIKeyCRBSFRWPZGEVGR-WAYWQWQTSA-N
XLogP-0.83
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide
CID 162255629
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 59423610
N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923
N-[(2R,3R)-3-bromobutan-2-yl]acetamide
CID 130631438
(3S)-3-acetamido-2-hydroxy-4-(methylamino)-4-oxobutanoic acid
CID 144619182
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
N-methylacetamide;1-(methylamino)ethanol
CID 159501218
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653

Frequently Asked Questions

What is the IUPAC name of (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide?
The IUPAC name of (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide (CID 101200706) is (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide.
What is the SMILES notation for (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide?
The canonical SMILES for (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide is CNC(=O)C(C)C(O)/C=C\C(O)C(C)NC(C)=O.
What is the InChIKey of (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide?
The InChIKey is CRBSFRWPZGEVGR-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-7(12(18)13-4)10(16)5-6-11(17)8(2)14-9(3)15/h5-8,10-11,16-17H,1-4H3,(H,13,18)(H,14,15)/b6-5-.
What are the key properties of (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide?
(Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide has a molecular weight of 258.32 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-acetamido-3,6-dihydroxy-N,2-dimethyloct-4-enamide is sourced from PubChem (CID 101200706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).