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

C20H26N2O4 — CID 142969986

IUPACN-(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
SMILESCOc1ccc2cc(NC(=O)CC(C)(C)C)c(=O)n3c2c1OCCCC3
InChIInChI=1S/C20H26N2O4/c1-20(2,3)12-16(23)21-14-11-13-7-8-15(25-4)18-17(13)22(19(14)24)9-5-6-10-26-18/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)
InChIKeyZUJGGURBEWRRLP-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.56
Rot. Bonds3

About 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

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 (PubChem CID 142969986) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID142969986
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-(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
SMILESCOc1ccc2cc(NC(=O)CC(C)(C)C)c(=O)n3c2c1OCCCC3
InChIInChI=1S/C20H26N2O4/c1-20(2,3)12-16(23)21-14-11-13-7-8-15(25-4)18-17(13)22(19(14)24)9-5-6-10-26-18/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)
InChIKeyZUJGGURBEWRRLP-UHFFFAOYSA-N
XLogP3.56
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 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
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-(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-[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
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-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
5-(3,3-dimethylbutanoylamino)-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid
CID 69463309
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
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
methyl 2-(3,3-dimethylbutanoylamino)-4,5-dimethoxybenzoate
CID 2104071

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2cc(NC(=O)CC(C)(C)C)c(=O)n3c2c1OCCCC3.
What is the InChIKey of 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?
The InChIKey is ZUJGGURBEWRRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-20(2,3)12-16(23)21-14-11-13-7-8-15(25-4)18-17(13)22(19(14)24)9-5-6-10-26-18/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23).
What are the key properties of 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?
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 has a molecular weight of 358.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142969986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).