ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide

C21H30N2O6 — CID 142970049

IUPACethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
SMILESCC.COc1ccc2cc(C(=O)NC(C)(C)CO)c(=O)n3c2c1OCCOCC3
InChIInChI=1S/C19H24N2O6.C2H6/c1-19(2,11-22)20-17(23)13-10-12-4-5-14(25-3)16-15(12)21(18(13)24)6-7-26-8-9-27-16;1-2/h4-5,10,22H,6-9,11H2,1-3H3,(H,20,23);1-2H3
InChIKeyNORAAEFSXKKNCY-UHFFFAOYSA-N
MW406.48 g/mol
LogP1.95
Rot. Bonds4

About ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide

ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide (PubChem CID 142970049) has the molecular formula C21H30N2O6 and a molecular weight of 406.48 g/mol. Its IUPAC name is ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide.

Molecular Properties

Compound Nameethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
PubChem CID142970049
Molecular FormulaC21H30N2O6
Molecular Weight406.48 g/mol
Exact Mass406.21
IUPAC Nameethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
SMILESCC.COc1ccc2cc(C(=O)NC(C)(C)CO)c(=O)n3c2c1OCCOCC3
InChIInChI=1S/C19H24N2O6.C2H6/c1-19(2,11-22)20-17(23)13-10-12-4-5-14(25-3)16-15(12)21(18(13)24)6-7-26-8-9-27-16;1-2/h4-5,10,22H,6-9,11H2,1-3H3,(H,20,23);1-2H3
InChIKeyNORAAEFSXKKNCY-UHFFFAOYSA-N
XLogP1.95
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide with MolForge

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Related Compounds

N-(1,3-dihydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
CID 142970113
N-[3-(hydroxymethyl)pentan-3-yl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
CID 142969965
1-[(8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carbonyl)amino]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 11271090
N-tert-butyl-8-methoxy-2-oxospiro[10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-13,1'-cyclopentane]-3-carboxamide
CID 11361947
N-[1-(hydroxymethyl)cycloheptyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
CID 11212522
N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
CID 142970074
N-(8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.5.1.05,15]pentadeca-3,5(15),6,8-tetraen-3-yl)-3,3-dimethylbutanamide
CID 142969986
methyl 1-[(8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.5.1.05,15]pentadeca-3,5(15),6,8-tetraene-3-carbonyl)amino]cycloheptane-1-carboxylate
CID 142970105
N-[1-(2-hydroxyethylcarbamoyl)cyclopentyl]-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
CID 142969955
N-(8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.5.1.05,15]pentadeca-3,5(15),6,8-tetraen-3-yl)-4-methylbenzenesulfonamide
CID 11441379
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide
CID 66681124
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
CID 43498513

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
The IUPAC name of ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide (CID 142970049) is ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide.
What is the SMILES notation for ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
The canonical SMILES for ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide is CC.COc1ccc2cc(C(=O)NC(C)(C)CO)c(=O)n3c2c1OCCOCC3.
What is the InChIKey of ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
The InChIKey is NORAAEFSXKKNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6.C2H6/c1-19(2,11-22)20-17(23)13-10-12-4-5-14(25-3)16-15(12)21(18(13)24)6-7-26-8-9-27-16;1-2/h4-5,10,22H,6-9,11H2,1-3H3,(H,20,23);1-2H3.
What are the key properties of ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxy-2-oxo-10,13-dioxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide is sourced from PubChem (CID 142970049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).