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

C20H26N2O6 — CID 142970113

IUPACN-(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
SMILESCOc1ccc2cc(C(=O)NC(C)(CO)CO)c(=O)n3c2c1OCCCCC3
InChIInChI=1S/C20H26N2O6/c1-20(11-23,12-24)21-18(25)14-10-13-6-7-15(27-2)17-16(13)22(19(14)26)8-4-3-5-9-28-17/h6-7,10,23-24H,3-5,8-9,11-12H2,1-2H3,(H,21,25)
InChIKeyZCXZISQAKNBJMR-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.05
Rot. Bonds5

About 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

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 (PubChem CID 142970113) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID142970113
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC NameN-(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
SMILESCOc1ccc2cc(C(=O)NC(C)(CO)CO)c(=O)n3c2c1OCCCCC3
InChIInChI=1S/C20H26N2O6/c1-20(11-23,12-24)21-18(25)14-10-13-6-7-15(27-2)17-16(13)22(19(14)26)8-4-3-5-9-28-17/h6-7,10,23-24H,3-5,8-9,11-12H2,1-2H3,(H,21,25)
InChIKeyZCXZISQAKNBJMR-UHFFFAOYSA-N
XLogP1.05
TPSA110.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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-(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
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-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-(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
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-(1,3-benzodioxol-5-ylmethyl)-2-(hydroxymethyl)-6-methoxy-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
CID 11475768
N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 23742174

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2cc(C(=O)NC(C)(CO)CO)c(=O)n3c2c1OCCCCC3.
What is the InChIKey of 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?
The InChIKey is ZCXZISQAKNBJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-20(11-23,12-24)21-18(25)14-10-13-6-7-15(27-2)17-16(13)22(19(14)26)8-4-3-5-9-28-17/h6-7,10,23-24H,3-5,8-9,11-12H2,1-2H3,(H,21,25).
What are the key properties of 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?
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 has a molecular weight of 390.44 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142970113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).