N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide

C20H23N5O4 — CID 53184146

IUPACN-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide
SMILESCOCCNC(=O)N1CCc2nc3cc(-c4ccc(OC)cc4)[nH]n3c(=O)c2C1
InChIInChI=1S/C20H23N5O4/c1-28-10-8-21-20(27)24-9-7-16-15(12-24)19(26)25-18(22-16)11-17(23-25)13-3-5-14(29-2)6-4-13/h3-6,11,23H,7-10,12H2,1-2H3,(H,21,27)
InChIKeyUWZYJBZZPKSFNQ-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.41
Rot. Bonds5

About N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide

N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide (PubChem CID 53184146) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide
PubChem CID53184146
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide
SMILESCOCCNC(=O)N1CCc2nc3cc(-c4ccc(OC)cc4)[nH]n3c(=O)c2C1
InChIInChI=1S/C20H23N5O4/c1-28-10-8-21-20(27)24-9-7-16-15(12-24)19(26)25-18(22-16)11-17(23-25)13-3-5-14(29-2)6-4-13/h3-6,11,23H,7-10,12H2,1-2H3,(H,21,27)
InChIKeyUWZYJBZZPKSFNQ-UHFFFAOYSA-N
XLogP1.41
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Tert-butyl-11-[(2-ethoxyphenyl)methyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 57504040
6-imino-N-[(4-methoxyphenyl)methyl]-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 662425
6-imino-7-(2-methoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 664239
Ethyl [7-hydroxy-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 1084421
N-cyclohexyl-6-imino-7-[(4-methoxyphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3469750
6-imino-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-7-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3749349
2-imino-N-(4-methoxyphenethyl)-10-methyl-5-oxo-1-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3800865
6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 4307096
6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 5109926
N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]ethyl]prop-2-enamide
CID 134813914
6-ethyl-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 3238840
2-imino-1-(4-methoxyphenethyl)-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
CID 3308980

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide (CID 53184146) is N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide is COCCNC(=O)N1CCc2nc3cc(-c4ccc(OC)cc4)[nH]n3c(=O)c2C1.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide?
The InChIKey is UWZYJBZZPKSFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-28-10-8-21-20(27)24-9-7-16-15(12-24)19(26)25-18(22-16)11-17(23-25)13-3-5-14(29-2)6-4-13/h3-6,11,23H,7-10,12H2,1-2H3,(H,21,27).
What are the key properties of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide?
N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide is sourced from PubChem (CID 53184146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).