N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide

C23H26N4O2 — CID 91191686

IUPACN-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESCCCC(C)Oc1ccc(NC(=O)c2c[nH]c3c2-c2ncncc2CCC3)cc1
InChIInChI=1S/C23H26N4O2/c1-3-5-15(2)29-18-10-8-17(9-11-18)27-23(28)19-13-25-20-7-4-6-16-12-24-14-26-22(16)21(19)20/h8-15,25H,3-7H2,1-2H3,(H,27,28)
InChIKeyIBBBHVMEJOYAER-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.78
Rot. Bonds6

About N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide

N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide (PubChem CID 91191686) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide.

Molecular Properties

Compound NameN-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
PubChem CID91191686
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESCCCC(C)Oc1ccc(NC(=O)c2c[nH]c3c2-c2ncncc2CCC3)cc1
InChIInChI=1S/C23H26N4O2/c1-3-5-15(2)29-18-10-8-17(9-11-18)27-23(28)19-13-25-20-7-4-6-16-12-24-14-26-22(16)21(19)20/h8-15,25H,3-7H2,1-2H3,(H,27,28)
InChIKeyIBBBHVMEJOYAER-UHFFFAOYSA-N
XLogP4.78
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide with MolForge

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Related Compounds

N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 91081771
N-(6-methyl-2-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 90731859
4-methyl-N-(4-pentoxyphenyl)-5-thia-3,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene-13-carboxamide
CID 91400095
N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 90893310
methyl-N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]phenoxy]ethyl]-N-propylboronamidic acid
CID 59917848
N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide
CID 136651013
N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 59983939
N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 59917838
4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
CID 18696546
N-(4-butan-2-yloxyphenyl)isoquinoline-4-carboxamide
CID 166193605
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
4-pentan-2-yloxybenzohydrazide
CID 57267352

Frequently Asked Questions

What is the IUPAC name of N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The IUPAC name of N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide (CID 91191686) is N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide.
What is the SMILES notation for N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The canonical SMILES for N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide is CCCC(C)Oc1ccc(NC(=O)c2c[nH]c3c2-c2ncncc2CCC3)cc1.
What is the InChIKey of N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The InChIKey is IBBBHVMEJOYAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-5-15(2)29-18-10-8-17(9-11-18)27-23(28)19-13-25-20-7-4-6-16-12-24-14-26-22(16)21(19)20/h8-15,25H,3-7H2,1-2H3,(H,27,28).
What are the key properties of N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide is sourced from PubChem (CID 91191686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).