N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C22H22N4O2 — CID 984705

IUPACN-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C)c1cccc(C)c1
InChIInChI=1S/C22H22N4O2/c1-5-25(16-10-6-8-14(2)12-16)22(28)18-13-17-20(24(18)4)23-19-15(3)9-7-11-26(19)21(17)27/h6-13H,5H2,1-4H3
InChIKeyXFVZRZQRBVWQEY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.47
Rot. Bonds3

About N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 984705) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID984705
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C)c1cccc(C)c1
InChIInChI=1S/C22H22N4O2/c1-5-25(16-10-6-8-14(2)12-16)22(28)18-13-17-20(24(18)4)23-19-15(3)9-7-11-26(19)21(17)27/h6-13H,5H2,1-4H3
InChIKeyXFVZRZQRBVWQEY-UHFFFAOYSA-N
XLogP3.47
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Related Compounds

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CID 5001187
6,10-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
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N-[(2R)-butan-2-yl]-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852286
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6,10-dimethyl-N-(3-methylbutyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852283
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CID 5001193
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 984705) is N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is CCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is XFVZRZQRBVWQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-5-25(16-10-6-8-14(2)12-16)22(28)18-13-17-20(24(18)4)23-19-15(3)9-7-11-26(19)21(17)27/h6-13H,5H2,1-4H3.
What are the key properties of N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 984705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).