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

C19H24N4O2 — CID 3505796

IUPACN-butyl-N-ethyl-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C19H24N4O2/c1-5-7-10-22(6-2)19(25)15-12-14-17(21(15)4)20-16-13(3)9-8-11-23(16)18(14)24/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyXRAASGOENMMYTF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.76
Rot. Bonds5

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

N-butyl-N-ethyl-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3505796) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-butyl-N-ethyl-6,10-dimethyl-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-butyl-N-ethyl-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3505796
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-butyl-N-ethyl-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C19H24N4O2/c1-5-7-10-22(6-2)19(25)15-12-14-17(21(15)4)20-16-13(3)9-8-11-23(16)18(14)24/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyXRAASGOENMMYTF-UHFFFAOYSA-N
XLogP2.76
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-ethyl-6,10-dimethyl-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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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-6,10-dimethyl-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-butyl-N-ethyl-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 3505796) is N-butyl-N-ethyl-6,10-dimethyl-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-butyl-N-ethyl-6,10-dimethyl-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-butyl-N-ethyl-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is CCCCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C.
What is the InChIKey of N-butyl-N-ethyl-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is XRAASGOENMMYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-7-10-22(6-2)19(25)15-12-14-17(21(15)4)20-16-13(3)9-8-11-23(16)18(14)24/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-butyl-N-ethyl-6,10-dimethyl-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 340.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-6,10-dimethyl-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 3505796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).