N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide

C24H31NO4 — CID 11211665

IUPACN-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide
SMILESCON(C)C(=O)C[C@H]1C[C@@H](CCCCc2ccccc2)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C24H31NO4/c1-25(27-2)23(26)18-22-17-21(16-10-9-13-19-11-5-3-6-12-19)28-24(29-22)20-14-7-4-8-15-20/h3-8,11-12,14-15,21-22,24H,9-10,13,16-18H2,1-2H3/t21-,22-,24-/m1/s1
InChIKeyNBIMHJAEQZWUBZ-CQOQZXRMSA-N
MW397.52 g/mol
LogP4.68
Rot. Bonds9

About N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide

N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide (PubChem CID 11211665) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide
PubChem CID11211665
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC NameN-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide
SMILESCON(C)C(=O)C[C@H]1C[C@@H](CCCCc2ccccc2)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C24H31NO4/c1-25(27-2)23(26)18-22-17-21(16-10-9-13-19-11-5-3-6-12-19)28-24(29-22)20-14-7-4-8-15-20/h3-8,11-12,14-15,21-22,24H,9-10,13,16-18H2,1-2H3/t21-,22-,24-/m1/s1
InChIKeyNBIMHJAEQZWUBZ-CQOQZXRMSA-N
XLogP4.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide with MolForge

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Related Compounds

methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
tert-butyl 2-[(2R,4R,6R)-6-[2-[bis(prop-2-enyl)amino]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetate
CID 71579035
N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide
CID 21306105
[(2R,3R,4S,6R)-3-methyl-2-phenyl-6-(2-phenylethyl)oxan-4-yl] acetate
CID 101271158
2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
CID 25111300
2-[(4R,6S)-2,2-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfonylmethyl]-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide
CID 56602336
CID 102011532
CID 102011532
1-[(2S,4R,6S)-2-tert-butyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]propan-2-one
CID 101262655
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
2-[benzyl-[2-[4-(4-phenylbutoxy)phenyl]ethyl]amino]-N-methoxy-N-methylacetamide
CID 86605038
(2S,4S)-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide
CID 56647526
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide?
The IUPAC name of N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide (CID 11211665) is N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide is CON(C)C(=O)C[C@H]1C[C@@H](CCCCc2ccccc2)O[C@@H](c2ccccc2)O1.
What is the InChIKey of N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide?
The InChIKey is NBIMHJAEQZWUBZ-CQOQZXRMSA-N. The full InChI is InChI=1S/C24H31NO4/c1-25(27-2)23(26)18-22-17-21(16-10-9-13-19-11-5-3-6-12-19)28-24(29-22)20-14-7-4-8-15-20/h3-8,11-12,14-15,21-22,24H,9-10,13,16-18H2,1-2H3/t21-,22-,24-/m1/s1.
What are the key properties of N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide?
N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide is sourced from PubChem (CID 11211665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).