(E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide

C15H27NO4 — CID 155725437

IUPAC(E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide
SMILESCNC(=O)/C=C/CC[C@@H](C)OC1O[C@@H](C)C(C)C[C@H]1O
InChIInChI=1S/C15H27NO4/c1-10-9-13(17)15(20-12(10)3)19-11(2)7-5-6-8-14(18)16-4/h6,8,10-13,15,17H,5,7,9H2,1-4H3,(H,16,18)/b8-6+/t10?,11-,12+,13-,15?/m1/s1
InChIKeyHVZLCYYLHAAXLG-AIQPUHQNSA-N
MW285.38 g/mol
LogP1.61
Rot. Bonds6

About (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide

(E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide (PubChem CID 155725437) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide.

Molecular Properties

Compound Name(E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide
PubChem CID155725437
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide
SMILESCNC(=O)/C=C/CC[C@@H](C)OC1O[C@@H](C)C(C)C[C@H]1O
InChIInChI=1S/C15H27NO4/c1-10-9-13(17)15(20-12(10)3)19-11(2)7-5-6-8-14(18)16-4/h6,8,10-13,15,17H,5,7,9H2,1-4H3,(H,16,18)/b8-6+/t10?,11-,12+,13-,15?/m1/s1
InChIKeyHVZLCYYLHAAXLG-AIQPUHQNSA-N
XLogP1.61
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide with MolForge

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Related Compounds

(E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide
CID 155735475
tert-butyl (E,6R)-6-(3-hydroxy-5,6-dimethyloxan-2-yl)oxyhept-2-enoate
CID 167631360
(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoic acid
CID 86289656
(E)-8-[(2R,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxynon-4-en-3-one
CID 167492292
tert-butyl (Z,6R)-6-[(3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155725513
tert-butyl (E,6R)-6-[(3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 174031490
16-(3,5-dihydroxy-6-methyloxan-2-yl)oxyheptadec-2-enoic acid
CID 162822049
13-(3,5-dihydroxy-6-methyloxan-2-yl)oxytetradec-2-enoic acid
CID 162822051
cyclohexylmethyl (E)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 175257334
cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155326811
2-phenylethyl (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155384317
(2S,3R,5R,6R)-6-[(2R,5E)-7-(2-ethylbutoxy)octa-5,7-dien-2-yl]oxy-2,5-dimethyloxan-3-ol
CID 155326855

Frequently Asked Questions

What is the IUPAC name of (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide?
The IUPAC name of (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide (CID 155725437) is (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide.
What is the SMILES notation for (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide?
The canonical SMILES for (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide is CNC(=O)/C=C/CC[C@@H](C)OC1O[C@@H](C)C(C)C[C@H]1O.
What is the InChIKey of (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide?
The InChIKey is HVZLCYYLHAAXLG-AIQPUHQNSA-N. The full InChI is InChI=1S/C15H27NO4/c1-10-9-13(17)15(20-12(10)3)19-11(2)7-5-6-8-14(18)16-4/h6,8,10-13,15,17H,5,7,9H2,1-4H3,(H,16,18)/b8-6+/t10?,11-,12+,13-,15?/m1/s1.
What are the key properties of (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide?
(E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide has a molecular weight of 285.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide is sourced from PubChem (CID 155725437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).