N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide

C30H35NO5 — CID 155415771

IUPACN-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C30H35NO5/c1-22-28(33-19-24-12-6-3-7-13-24)30(35-21-26-16-10-5-11-17-26)29(27(36-22)18-31-23(2)32)34-20-25-14-8-4-9-15-25/h3-17,22,27-30H,18-21H2,1-2H3,(H,31,32)
InChIKeyGJFGBAHOBACIHG-UHFFFAOYSA-N
MW489.61 g/mol
LogP4.67
Rot. Bonds11

About N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide

N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide (PubChem CID 155415771) has the molecular formula C30H35NO5 and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
PubChem CID155415771
Molecular FormulaC30H35NO5
Molecular Weight489.61 g/mol
Exact Mass489.25
IUPAC NameN-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C30H35NO5/c1-22-28(33-19-24-12-6-3-7-13-24)30(35-21-26-16-10-5-11-17-26)29(27(36-22)18-31-23(2)32)34-20-25-14-8-4-9-15-25/h3-17,22,27-30H,18-21H2,1-2H3,(H,31,32)
InChIKeyGJFGBAHOBACIHG-UHFFFAOYSA-N
XLogP4.67
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R,4S,5R,6S)-6-(acetamidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 101099088
[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 163477744
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
[(2R,4S,5S)-2-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 70841959
2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 130316142
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
(2S,3R,4R,5S,6S)-2-methyl-6-(methylsulfonylmethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 102092355
[(2S,3R,4R,5S,6S)-6-methyl-2-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 14131744
N-[(3S,4R,5S,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 167040683
[(2S,3S,4R,5R,6S)-6-chloro-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 15663134
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide (CID 155415771) is N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide is CC(=O)NCC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide?
The InChIKey is GJFGBAHOBACIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO5/c1-22-28(33-19-24-12-6-3-7-13-24)30(35-21-26-16-10-5-11-17-26)29(27(36-22)18-31-23(2)32)34-20-25-14-8-4-9-15-25/h3-17,22,27-30H,18-21H2,1-2H3,(H,31,32).
What are the key properties of N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide?
N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide has a molecular weight of 489.61 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 155415771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).