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

C19H31NO5 — CID 142428419

IUPACN-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SMILESC=C1C[C@@](CC(=O)NCC2CC(=O)C(C)(C)CO2)(OC)OC(C)C1C
InChIInChI=1S/C19H31NO5/c1-12-8-19(23-6,25-14(3)13(12)2)9-17(22)20-10-15-7-16(21)18(4,5)11-24-15/h13-15H,1,7-11H2,2-6H3,(H,20,22)/t13?,14?,15?,19-/m1/s1
InChIKeyUOOFVWQJNXYODU-PNCMZWLBSA-N
MW353.46 g/mol
LogP2.22
Rot. Bonds5

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

N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (PubChem CID 142428419) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
PubChem CID142428419
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC NameN-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SMILESC=C1C[C@@](CC(=O)NCC2CC(=O)C(C)(C)CO2)(OC)OC(C)C1C
InChIInChI=1S/C19H31NO5/c1-12-8-19(23-6,25-14(3)13(12)2)9-17(22)20-10-15-7-16(21)18(4,5)11-24-15/h13-15H,1,7-11H2,2-6H3,(H,20,22)/t13?,14?,15?,19-/m1/s1
InChIKeyUOOFVWQJNXYODU-PNCMZWLBSA-N
XLogP2.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

Pederin precursor
CID 138319344
N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 89020601
N-[[(2R,3R,4S,6R)-6-[(2S)-2,3-dihydroxypropyl]-3-(hydroxymethoxy)-4-methoxy-5,5-dimethyloxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 89043077
1-(5,5-dimethyloxan-2-yl)-N-methylmethanamine;2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetaldehyde;propyl acetate
CID 142428403
N-[[3-(hydroxymethoxy)-5,5-dimethyloxan-2-yl]methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol
CID 142428406
N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;3-methoxypropan-1-ol
CID 142428408
N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane
CID 142428418
N-[[(3R)-3-(hydroxymethoxy)-5,5-dimethyloxan-2-yl]methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol
CID 142428421
N-[[(3R)-3-(hydroxymethoxy)-5,5-dimethyloxan-2-yl]methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
CID 142428422
N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol
CID 142428424
N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;1-methoxypropane
CID 142428425
N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;3-methoxybutan-1-ol
CID 142428429

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The IUPAC name of N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (CID 142428419) is N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.
What is the SMILES notation for N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The canonical SMILES for N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is C=C1C[C@@](CC(=O)NCC2CC(=O)C(C)(C)CO2)(OC)OC(C)C1C.
What is the InChIKey of N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The InChIKey is UOOFVWQJNXYODU-PNCMZWLBSA-N. The full InChI is InChI=1S/C19H31NO5/c1-12-8-19(23-6,25-14(3)13(12)2)9-17(22)20-10-15-7-16(21)18(4,5)11-24-15/h13-15H,1,7-11H2,2-6H3,(H,20,22)/t13?,14?,15?,19-/m1/s1.
What are the key properties of N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide has a molecular weight of 353.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyl-4-oxooxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is sourced from PubChem (CID 142428419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).