N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

C20H20N2O2 — CID 110384049

IUPACN-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1
InChIInChI=1S/C20H20N2O2/c1-12-3-4-13(2)17(9-12)21-20(24)16-10-14-5-6-18(23)22-8-7-15(11-16)19(14)22/h3-4,9-11H,5-8H2,1-2H3,(H,21,24)
InChIKeyKBRCMGIBLUFUDI-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.39
Rot. Bonds2

About N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (PubChem CID 110384049) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
PubChem CID110384049
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1
InChIInChI=1S/C20H20N2O2/c1-12-3-4-13(2)17(9-12)21-20(24)16-10-14-5-6-18(23)22-8-7-15(11-16)19(14)22/h3-4,9-11H,5-8H2,1-2H3,(H,21,24)
InChIKeyKBRCMGIBLUFUDI-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,5-dimethylphenyl)-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 18577978
N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384044
N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384060
N-(2,5-dimethylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36675659
N'-(2-methoxy-5-methylphenyl)-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 18577979
6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 19612122
N-butyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383960
4-bromo-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7526321
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
N-(2,5-dimethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285275
N-(2,3-dimethylphenyl)-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 18577975

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (CID 110384049) is N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is Cc1ccc(C)c(NC(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The InChIKey is KBRCMGIBLUFUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-3-4-13(2)17(9-12)21-20(24)16-10-14-5-6-18(23)22-8-7-15(11-16)19(14)22/h3-4,9-11H,5-8H2,1-2H3,(H,21,24).
What are the key properties of N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is sourced from PubChem (CID 110384049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).