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

C14H25NO5 — CID 155735475

IUPAC(E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide
SMILESCNC(=O)/C=C/CC[C@@H](C)OC1O[C@@H](C)C(O)C[C@H]1O
InChIInChI=1S/C14H25NO5/c1-9(6-4-5-7-13(18)15-3)19-14-12(17)8-11(16)10(2)20-14/h5,7,9-12,14,16-17H,4,6,8H2,1-3H3,(H,15,18)/b7-5+/t9-,10+,11?,12-,14?/m1/s1
InChIKeyVWYAYMLYIBKRPO-MRQKIRMPSA-N
MW287.36 g/mol
LogP0.33
Rot. Bonds6

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

(E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide (PubChem CID 155735475) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide.

Molecular Properties

Compound Name(E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide
PubChem CID155735475
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name(E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide
SMILESCNC(=O)/C=C/CC[C@@H](C)OC1O[C@@H](C)C(O)C[C@H]1O
InChIInChI=1S/C14H25NO5/c1-9(6-4-5-7-13(18)15-3)19-14-12(17)8-11(16)10(2)20-14/h5,7,9-12,14,16-17H,4,6,8H2,1-3H3,(H,15,18)/b7-5+/t9-,10+,11?,12-,14?/m1/s1
InChIKeyVWYAYMLYIBKRPO-MRQKIRMPSA-N
XLogP0.33
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,6R)-6-[(3R,6S)-3-hydroxy-5,6-dimethyloxan-2-yl]oxy-N-methylhept-2-enamide
CID 155725437
(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
tert-butyl (E,6R)-6-(3-hydroxy-5,6-dimethyloxan-2-yl)oxyhept-2-enoate
CID 167631360
pyridin-3-ylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155326813

Frequently Asked Questions

What is the IUPAC name of (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide?
The IUPAC name of (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide (CID 155735475) is (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide.
What is the SMILES notation for (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide?
The canonical SMILES for (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide is CNC(=O)/C=C/CC[C@@H](C)OC1O[C@@H](C)C(O)C[C@H]1O.
What is the InChIKey of (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide?
The InChIKey is VWYAYMLYIBKRPO-MRQKIRMPSA-N. The full InChI is InChI=1S/C14H25NO5/c1-9(6-4-5-7-13(18)15-3)19-14-12(17)8-11(16)10(2)20-14/h5,7,9-12,14,16-17H,4,6,8H2,1-3H3,(H,15,18)/b7-5+/t9-,10+,11?,12-,14?/m1/s1.
What are the key properties of (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide?
(E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide has a molecular weight of 287.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide is sourced from PubChem (CID 155735475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).