N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol

C22H41NO5 — CID 142428424

IUPACN-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol
SMILESC=C1C[C@@](CC(=O)NCC2CCC(C)(C)CO2)(OC)OC(C)C1C.CCCO
InChIInChI=1S/C19H33NO4.C3H8O/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;1-2-3-4/h14-16H,1,7-12H2,2-6H3,(H,20,21);4H,2-3H2,1H3/t14?,15?,16?,19-;/m1./s1
InChIKeyGIVMFVQCMOFLCD-RQXPFVIISA-N
MW399.57 g/mol
LogP3.43
Rot. Bonds6

About N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol

N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol (PubChem CID 142428424) has the molecular formula C22H41NO5 and a molecular weight of 399.57 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;propan-1-ol.

Molecular Properties

Compound NameN-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol
PubChem CID142428424
Molecular FormulaC22H41NO5
Molecular Weight399.57 g/mol
Exact Mass399.30
IUPAC NameN-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol
SMILESC=C1C[C@@](CC(=O)NCC2CCC(C)(C)CO2)(OC)OC(C)C1C.CCCO
InChIInChI=1S/C19H33NO4.C3H8O/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;1-2-3-4/h14-16H,1,7-12H2,2-6H3,(H,20,21);4H,2-3H2,1H3/t14?,15?,16?,19-;/m1./s1
InChIKeyGIVMFVQCMOFLCD-RQXPFVIISA-N
XLogP3.43
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 136565765
(2R)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-N-[(2R)-oxan-2-yl]acetamide
CID 11809166
N-[(4,4-dimethylcyclohexyl)methyl]propanamide
CID 130164605
N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide
CID 164635535
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide
CID 138055237
2-(1-methylpiperidin-4-yl)oxy-N-(6-oxaspiro[3.5]nonan-7-ylmethyl)acetamide
CID 136565795
methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate
CID 102007340
3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
CID 18160278
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
methyl 4-amino-3-(oxetan-2-ylmethylamino)benzoate
CID 135141200

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;propan-1-ol?
The IUPAC name of N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol (CID 142428424) is N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol.
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;propan-1-ol?
The canonical SMILES for N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol is C=C1C[C@@](CC(=O)NCC2CCC(C)(C)CO2)(OC)OC(C)C1C.CCCO.
What is the InChIKey of N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol?
The InChIKey is GIVMFVQCMOFLCD-RQXPFVIISA-N. The full InChI is InChI=1S/C19H33NO4.C3H8O/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;1-2-3-4/h14-16H,1,7-12H2,2-6H3,(H,20,21);4H,2-3H2,1H3/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;propan-1-ol?
N-[(5,5-dimethyloxan-2-yl)methyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide;propan-1-ol has a molecular weight of 399.57 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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;propan-1-ol is sourced from PubChem (CID 142428424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).