N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide

C25H29NO6 — CID 10812963

IUPACN-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
SMILESC=CCO[C@@H]1O[C@H](COCc2ccccc2)C(=O)[C@H](OCc2ccccc2)[C@H]1NC(C)=O
InChIInChI=1S/C25H29NO6/c1-3-14-30-25-22(26-18(2)27)24(31-16-20-12-8-5-9-13-20)23(28)21(32-25)17-29-15-19-10-6-4-7-11-19/h3-13,21-22,24-25H,1,14-17H2,2H3,(H,26,27)/t21-,22-,24-,25-/m1/s1
InChIKeyVHZBPCLVRSDELO-WMMXXEOUSA-N
MW439.51 g/mol
LogP2.79
Rot. Bonds11

About N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide

N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide (PubChem CID 10812963) has the molecular formula C25H29NO6 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
PubChem CID10812963
Molecular FormulaC25H29NO6
Molecular Weight439.51 g/mol
Exact Mass439.20
IUPAC NameN-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
SMILESC=CCO[C@@H]1O[C@H](COCc2ccccc2)C(=O)[C@H](OCc2ccccc2)[C@H]1NC(C)=O
InChIInChI=1S/C25H29NO6/c1-3-14-30-25-22(26-18(2)27)24(31-16-20-12-8-5-9-13-20)23(28)21(32-25)17-29-15-19-10-6-4-7-11-19/h3-13,21-22,24-25H,1,14-17H2,2H3,(H,26,27)/t21-,22-,24-,25-/m1/s1
InChIKeyVHZBPCLVRSDELO-WMMXXEOUSA-N
XLogP2.79
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3S,4R,5S,6R)-2,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]acetamide
CID 66860325
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxan-3-yl]acetamide
CID 11104904
N-[(2R,5R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 146162729
N-[(2R,3R,4R,5S,6R)-2-pent-4-enoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 15043143
N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 45050683
[(2R,3S,4R,5S,6R)-5-acetamido-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyloxan-4-yl] acetate
CID 102207326
N-[(3R,4R,5S,6R)-2-ethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 102583190
N-[(2S,3S,4R,5R,6R)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-prop-2-enoxyoxan-3-yl]acetamide
CID 102388063
N-[(3S,4R,5S,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 167040683
N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 561002
N-[(2S,4aR,6S,7R,8R,8aS)-2-phenyl-6-phenylmethoxy-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 94004997

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide (CID 10812963) is N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide is C=CCO[C@@H]1O[C@H](COCc2ccccc2)C(=O)[C@H](OCc2ccccc2)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide?
The InChIKey is VHZBPCLVRSDELO-WMMXXEOUSA-N. The full InChI is InChI=1S/C25H29NO6/c1-3-14-30-25-22(26-18(2)27)24(31-16-20-12-8-5-9-13-20)23(28)21(32-25)17-29-15-19-10-6-4-7-11-19/h3-13,21-22,24-25H,1,14-17H2,2H3,(H,26,27)/t21-,22-,24-,25-/m1/s1.
What are the key properties of N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide?
N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide has a molecular weight of 439.51 g/mol, XLogP of 2.79, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide is sourced from PubChem (CID 10812963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).