(E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide

C29H29NO6 — CID 101164891

IUPAC(E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O
InChIInChI=1S/C29H29NO6/c31-24(17-16-20-10-4-1-5-11-20)30-25-26(32)27-23(19-34-28(36-27)22-14-8-3-9-15-22)35-29(25)33-18-21-12-6-2-7-13-21/h1-17,23,25-29,32H,18-19H2,(H,30,31)/b17-16+/t23-,25-,26+,27-,28-,29+/m1/s1
InChIKeySLSGIMCKTJCKDR-RYCUPVNQSA-N
MW487.55 g/mol
LogP3.60
Rot. Bonds7

About (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide

(E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide (PubChem CID 101164891) has the molecular formula C29H29NO6 and a molecular weight of 487.55 g/mol. Its IUPAC name is (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide
PubChem CID101164891
Molecular FormulaC29H29NO6
Molecular Weight487.55 g/mol
Exact Mass487.20
IUPAC Name(E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O
InChIInChI=1S/C29H29NO6/c31-24(17-16-20-10-4-1-5-11-20)30-25-26(32)27-23(19-34-28(36-27)22-14-8-3-9-15-22)35-29(25)33-18-21-12-6-2-7-13-21/h1-17,23,25-29,32H,18-19H2,(H,30,31)/b17-16+/t23-,25-,26+,27-,28-,29+/m1/s1
InChIKeySLSGIMCKTJCKDR-RYCUPVNQSA-N
XLogP3.60
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

N-[(2R,4aS,6R,7S,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 51378101
N-[(4aR,6R,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 14560964
N-[(2S,4aR,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 24773076
N-[(4aR,6R,7R,8R,8aR)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide
CID 175533594
prop-2-enyl N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate
CID 166759299
N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]hexadecanamide
CID 22802646
N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]dodecanamide
CID 22802643
N-[(4aR,6R,7R,8R,8aS)-8-hydroxy-6-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 15298784
N-[(4aR,6S,7R,8R,8aS)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 14160808
N-[(2R,4aR,6S,7S,8R,8aS)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 71776403
(2R,4aS,6S,7S,8R,8aR)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 124552800
N-[(4aR,6S,7R,8R,8aR)-8-hydroxy-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 101094970

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide (CID 101164891) is (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O.
What is the InChIKey of (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide?
The InChIKey is SLSGIMCKTJCKDR-RYCUPVNQSA-N. The full InChI is InChI=1S/C29H29NO6/c31-24(17-16-20-10-4-1-5-11-20)30-25-26(32)27-23(19-34-28(36-27)22-14-8-3-9-15-22)35-29(25)33-18-21-12-6-2-7-13-21/h1-17,23,25-29,32H,18-19H2,(H,30,31)/b17-16+/t23-,25-,26+,27-,28-,29+/m1/s1.
What are the key properties of (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide?
(E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide has a molecular weight of 487.55 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 101164891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).