N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide

C21H24N6O — CID 58382252

IUPACN-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide
SMILESCN(C)CCNC(=O)Cc1cccc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c1
InChIInChI=1S/C21H24N6O/c1-26(2)8-7-22-19(28)10-14-5-4-6-15(9-14)18-11-17-20-16(13-24-27(20)3)12-23-21(17)25-18/h4-6,9,11-13,24H,7-8,10H2,1-3H3,(H,22,28)
InChIKeyAXVDYJHIWMGLHG-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.34
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide

N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide (PubChem CID 58382252) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide
PubChem CID58382252
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide
SMILESCN(C)CCNC(=O)Cc1cccc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c1
InChIInChI=1S/C21H24N6O/c1-26(2)8-7-22-19(28)10-14-5-4-6-15(9-14)18-11-17-20-16(13-24-27(20)3)12-23-21(17)25-18/h4-6,9,11-13,24H,7-8,10H2,1-3H3,(H,22,28)
InChIKeyAXVDYJHIWMGLHG-UHFFFAOYSA-N
XLogP2.34
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide
CID 71248336
N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide
CID 58382156
1-[1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indol-5-yl]-2-methylsulfonylethanone
CID 58382236
N-[4-(dimethylamino)butyl]-2-[3-(1-ethyl-6-oxopyridazin-3-yl)phenyl]acetamide
CID 71248335
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
N-[2-(dimethylamino)ethyl]-2-[3-[[6-oxo-3-(3,4,5-trifluorophenyl)pyridazin-1-yl]methyl]phenyl]pyrimidine-5-carboxamide
CID 25173623
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
CID 59836155
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide (CID 58382252) is N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide is CN(C)CCNC(=O)Cc1cccc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide?
The InChIKey is AXVDYJHIWMGLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(2)8-7-22-19(28)10-14-5-4-6-15(9-14)18-11-17-20-16(13-24-27(20)3)12-23-21(17)25-18/h4-6,9,11-13,24H,7-8,10H2,1-3H3,(H,22,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]acetamide is sourced from PubChem (CID 58382252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).