N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

C20H18N2O2 — CID 133158982

IUPACN,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESCC1Cc2cccc3c(=O)c(C(=O)N(C)c4ccccc4)cn1c23
InChIInChI=1S/C20H18N2O2/c1-13-11-14-7-6-10-16-18(14)22(13)12-17(19(16)23)20(24)21(2)15-8-4-3-5-9-15/h3-10,12-13H,11H2,1-2H3
InChIKeyQBTIJDDIOGYNLU-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.40
Rot. Bonds2

About N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (PubChem CID 133158982) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
PubChem CID133158982
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESCC1Cc2cccc3c(=O)c(C(=O)N(C)c4ccccc4)cn1c23
InChIInChI=1S/C20H18N2O2/c1-13-11-14-7-6-10-16-18(14)22(13)12-17(19(16)23)20(24)21(2)15-8-4-3-5-9-15/h3-10,12-13H,11H2,1-2H3
InChIKeyQBTIJDDIOGYNLU-UHFFFAOYSA-N
XLogP3.40
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,2-dimethyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 93046289
(2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 100769694
(2S)-N-butyl-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878679
(2S)-N-(2-bromophenyl)-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878876
(2R)-N-(3-acetylphenyl)-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878787
(2R)-N-(4-carbamoylphenyl)-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878901
(2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878708
N-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 133197655
(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 100769835
(2S)-10-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one
CID 92878805
(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878775
(2S)-2-methyl-9-oxo-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 100801670

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The IUPAC name of N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (CID 133158982) is N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.
What is the SMILES notation for N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The canonical SMILES for N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is CC1Cc2cccc3c(=O)c(C(=O)N(C)c4ccccc4)cn1c23.
What is the InChIKey of N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The InChIKey is QBTIJDDIOGYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-11-14-7-6-10-16-18(14)22(13)12-17(19(16)23)20(24)21(2)15-8-4-3-5-9-15/h3-10,12-13H,11H2,1-2H3.
What are the key properties of N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-9-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is sourced from PubChem (CID 133158982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).