N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C20H25N3O3 — CID 102558481

IUPACN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCN1C(=O)COc2ccc(NC(=O)N3CC4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C20H25N3O3/c1-22-17-9-15(2-3-18(17)26-11-19(22)24)21-20(25)23-10-14-5-12-4-13(6-14)8-16(23)7-12/h2-3,9,12-14,16H,4-8,10-11H2,1H3,(H,21,25)
InChIKeyWNPXFHYSQUTLID-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.08
Rot. Bonds1

About N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 102558481) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID102558481
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCN1C(=O)COc2ccc(NC(=O)N3CC4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C20H25N3O3/c1-22-17-9-15(2-3-18(17)26-11-19(22)24)21-20(25)23-10-14-5-12-4-13(6-14)8-16(23)7-12/h2-3,9,12-14,16H,4-8,10-11H2,1H3,(H,21,25)
InChIKeyWNPXFHYSQUTLID-UHFFFAOYSA-N
XLogP3.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-1-carboxamide
CID 143615273
(3aS,6aR)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 136585527
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoacetamide
CID 51049026
(3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
CID 125447942
(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
CID 125447943
2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide
CID 72855696
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
(2S)-2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
CID 125435903
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 115179617
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 102558481) is N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is CN1C(=O)COc2ccc(NC(=O)N3CC4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is WNPXFHYSQUTLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22-17-9-15(2-3-18(17)26-11-19(22)24)21-20(25)23-10-14-5-12-4-13(6-14)8-16(23)7-12/h2-3,9,12-14,16H,4-8,10-11H2,1H3,(H,21,25).
What are the key properties of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 102558481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).