N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C30H33NO6 — CID 72768617

IUPACN-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(C=O)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C30H33NO6/c1-22(33)31-28-26(17-32)37-27(21-34-18-23-11-5-2-6-12-23)29(35-19-24-13-7-3-8-14-24)30(28)36-20-25-15-9-4-10-16-25/h2-17,26-30H,18-21H2,1H3,(H,31,33)
InChIKeyPINLKVSXDWNCOC-UHFFFAOYSA-N
MW503.60 g/mol
LogP3.85
Rot. Bonds12

About N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 72768617) has the molecular formula C30H33NO6 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID72768617
Molecular FormulaC30H33NO6
Molecular Weight503.60 g/mol
Exact Mass503.23
IUPAC NameN-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(C=O)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C30H33NO6/c1-22(33)31-28-26(17-32)37-27(21-34-18-23-11-5-2-6-12-23)29(35-19-24-13-7-3-8-14-24)30(28)36-20-25-15-9-4-10-16-25/h2-17,26-30H,18-21H2,1H3,(H,31,33)
InChIKeyPINLKVSXDWNCOC-UHFFFAOYSA-N
XLogP3.85
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

AG-H-08425
CID 11734220
(2R,3R,4R,5R)-2,5-dibenzyloxy-3,4-dihydroxy-N,N'-bis[(1S)-1-(hydroxymethyl)-2-methyl-propyl]hexanediamide
CID 470106
(2R,3R,4R,5R)-2,5-dibenzyloxy-3,4-dihydroxy-N,N'-bis(2-hydroxyethyl)hexanediamide
CID 470122
N-[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 91399124
2-acetamido-2-deoxy-3,4,6-tri-O-benzyl-d-glucose
CID 117598748
N-[(2R,3R,4R,5S,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 10896306
N-((2R,3R,4R,5S,6R)-2-Azido-4,5-bis(benzyloxy)-6-((benzyloxy)methyl)oxan-3-yl)acetamide
CID 15379132
ethyl 4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2-amino-4,4-difluorobutanoate
CID 57411082
N-[(2R,3S,4R,5S,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 70389421
Ethyl 4-[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2-amino-4,4-difluorobutanoate
CID 76527065
N-[(2S,3R)-3-fluoro-1-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]heptadec-4-en-2-yl]hexacosanamide
CID 87208191
4-[3-Acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,4-difluorobutanoic acid
CID 123137681

Frequently Asked Questions

What is the IUPAC name of N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 72768617) is N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(C=O)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is PINLKVSXDWNCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO6/c1-22(33)31-28-26(17-32)37-27(21-34-18-23-11-5-2-6-12-23)29(35-19-24-13-7-3-8-14-24)30(28)36-20-25-15-9-4-10-16-25/h2-17,26-30H,18-21H2,1H3,(H,31,33).
What are the key properties of N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 503.60 g/mol, XLogP of 3.85, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 72768617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).