(Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide

C18H29NO3 — CID 59552179

IUPAC(Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide
SMILESC=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)O)C[C@@H]1C
InChIInChI=1S/C18H29NO3/c1-6-12(2)7-9-17-13(3)11-16(15(5)22-17)19-18(21)10-8-14(4)20/h6-8,10,13-17,20H,1,9,11H2,2-5H3,(H,19,21)/b10-8-,12-7+/t13-,14-,15+,16+,17-/m0/s1
InChIKeyOUWXCHYBNAUCFL-JJDRWYLSSA-N
MW307.43 g/mol
LogP2.74
Rot. Bonds6

About (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide

(Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide (PubChem CID 59552179) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide.

Molecular Properties

Compound Name(Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide
PubChem CID59552179
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide
SMILESC=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)O)C[C@@H]1C
InChIInChI=1S/C18H29NO3/c1-6-12(2)7-9-17-13(3)11-16(15(5)22-17)19-18(21)10-8-14(4)20/h6-8,10,13-17,20H,1,9,11H2,2-5H3,(H,19,21)/b10-8-,12-7+/t13-,14-,15+,16+,17-/m0/s1
InChIKeyOUWXCHYBNAUCFL-JJDRWYLSSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-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

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide?
The IUPAC name of (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide (CID 59552179) is (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide.
What is the SMILES notation for (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide?
The canonical SMILES for (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide is C=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)O)C[C@@H]1C.
What is the InChIKey of (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide?
The InChIKey is OUWXCHYBNAUCFL-JJDRWYLSSA-N. The full InChI is InChI=1S/C18H29NO3/c1-6-12(2)7-9-17-13(3)11-16(15(5)22-17)19-18(21)10-8-14(4)20/h6-8,10,13-17,20H,1,9,11H2,2-5H3,(H,19,21)/b10-8-,12-7+/t13-,14-,15+,16+,17-/m0/s1.
What are the key properties of (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide?
(Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide has a molecular weight of 307.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-hydroxypent-2-enamide is sourced from PubChem (CID 59552179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).