N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide

C23H20N4O2 — CID 86752967

IUPACN-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cnc2c(=O)[nH]c3c(n12)Cc1ccccc1-3
InChIInChI=1S/C23H20N4O2/c28-20(12-6-9-15-7-2-1-3-8-15)25-19-14-24-22-23(29)26-21-17-11-5-4-10-16(17)13-18(21)27(19)22/h1-5,7-8,10-11,14H,6,9,12-13H2,(H,25,28)(H,26,29)
InChIKeyZWNKQMCSTYGPCT-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.56
Rot. Bonds5

About N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide

N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide (PubChem CID 86752967) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide
PubChem CID86752967
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cnc2c(=O)[nH]c3c(n12)Cc1ccccc1-3
InChIInChI=1S/C23H20N4O2/c28-20(12-6-9-15-7-2-1-3-8-15)25-19-14-24-22-23(29)26-21-17-11-5-4-10-16(17)13-18(21)27(19)22/h1-5,7-8,10-11,14H,6,9,12-13H2,(H,25,28)(H,26,29)
InChIKeyZWNKQMCSTYGPCT-UHFFFAOYSA-N
XLogP3.56
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide?
The IUPAC name of N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide (CID 86752967) is N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide?
The canonical SMILES for N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1cnc2c(=O)[nH]c3c(n12)Cc1ccccc1-3.
What is the InChIKey of N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide?
The InChIKey is ZWNKQMCSTYGPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-20(12-6-9-15-7-2-1-3-8-15)25-19-14-24-22-23(29)26-21-17-11-5-4-10-16(17)13-18(21)27(19)22/h1-5,7-8,10-11,14H,6,9,12-13H2,(H,25,28)(H,26,29).
What are the key properties of N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide?
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide has a molecular weight of 384.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 86752967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).