N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

C19H33NO4 — CID 142428409

IUPACN-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SMILESC=C1C[C@@](CC(=O)NCC2CCC(C)(C)CO2)(OC)OC(C)C1C
InChIInChI=1S/C19H33NO4/c1-13-9-19(22-6,24-15(3)14(13)2)10-17(21)20-11-16-7-8-18(4,5)12-23-16/h14-16H,1,7-12H2,2-6H3,(H,20,21)/t14?,15?,16?,19-/m1/s1
InChIKeyXRXSCSJPFFABTA-ZEPBGEJQSA-N
MW339.48 g/mol
LogP3.04
Rot. Bonds5

About N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (PubChem CID 142428409) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
PubChem CID142428409
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC NameN-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SMILESC=C1C[C@@](CC(=O)NCC2CCC(C)(C)CO2)(OC)OC(C)C1C
InChIInChI=1S/C19H33NO4/c1-13-9-19(22-6,24-15(3)14(13)2)10-17(21)20-11-16-7-8-18(4,5)12-23-16/h14-16H,1,7-12H2,2-6H3,(H,20,21)/t14?,15?,16?,19-/m1/s1
InChIKeyXRXSCSJPFFABTA-ZEPBGEJQSA-N
XLogP3.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

18-O-demethylpederin
CID 138319300
Pederin
CID 5381287
Mycalamide C
CID 10002037
Pseudopederin
CID 76959410
Diaphorin
CID 132934247
7,18-Trimethoxy mycalamide A
CID 6711422
N-[[6-(2,3-dimethoxypropyl)-4-hydroxy-5,5-dimethyl-tetrahydropyran-2-yl]-methoxy-methyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl)acetamide
CID 494094
(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 134917946
Pederin precursor
CID 138319344
N-[(S)-[(2S,4R,6R)-6-(2,3-dimethoxypropyl)-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 138980541
(S)-N-((S)-{(2S,4R,6R)-6-[(S)-2,3-Dihydroxypropyl]-4-hydroxy-5,5-dimethyltetrahydro-2H-pyran-2-yl}(hydroxy)methyl)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetamide methanol monosolvate
CID 139088508
(2S)-N-[(4S,6R,8S,8aR)-6-[(2S)-2,3-dimethoxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-methoxy-2-[(2S,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 90661939

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The IUPAC name of N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (CID 142428409) is N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.
What is the SMILES notation for N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The canonical SMILES for N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is C=C1C[C@@](CC(=O)NCC2CCC(C)(C)CO2)(OC)OC(C)C1C.
What is the InChIKey of N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The InChIKey is XRXSCSJPFFABTA-ZEPBGEJQSA-N. The full InChI is InChI=1S/C19H33NO4/c1-13-9-19(22-6,24-15(3)14(13)2)10-17(21)20-11-16-7-8-18(4,5)12-23-16/h14-16H,1,7-12H2,2-6H3,(H,20,21)/t14?,15?,16?,19-/m1/s1.
What are the key properties of N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is sourced from PubChem (CID 142428409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).