N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide

C24H22N4O2 — CID 15293019

IUPACN-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12
InChIInChI=1S/C24H22N4O2/c29-21(9-5-4-8-16-6-2-1-3-7-16)26-18-10-11-19-17(14-18)15-20-22(19)27-24(30)23-25-12-13-28(20)23/h1-3,6-7,10-14H,4-5,8-9,15H2,(H,26,29)(H,27,30)
InChIKeyPBSLMIYDAZGDDP-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.95
Rot. Bonds6

About N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide

N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide (PubChem CID 15293019) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 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(15),11,13-hexaen-13-yl)-5-phenylpentanamide.

Molecular Properties

Compound NameN-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide
PubChem CID15293019
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12
InChIInChI=1S/C24H22N4O2/c29-21(9-5-4-8-16-6-2-1-3-7-16)26-18-10-11-19-17(14-18)15-20-22(19)27-24(30)23-25-12-13-28(20)23/h1-3,6-7,10-14H,4-5,8-9,15H2,(H,26,29)(H,27,30)
InChIKeyPBSLMIYDAZGDDP-UHFFFAOYSA-N
XLogP3.95
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-oxo-N-phenyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaene-13-carboxamide
CID 54441912
1-butyl-3-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)urea
CID 19066018
1-morpholin-4-yl-3-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)urea;hydrate
CID 19066048
2-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)acetamide
CID 18790622
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)-2-phenylacetamide;hydrate
CID 19066045
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
2-hydroxy-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide
CID 11392596
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide
CID 123281150
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257

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(15),11,13-hexaen-13-yl)-5-phenylpentanamide?
The IUPAC name of N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide (CID 15293019) is N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide.
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(15),11,13-hexaen-13-yl)-5-phenylpentanamide?
The canonical SMILES for N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide is O=C(CCCCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12.
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(15),11,13-hexaen-13-yl)-5-phenylpentanamide?
The InChIKey is PBSLMIYDAZGDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-21(9-5-4-8-16-6-2-1-3-7-16)26-18-10-11-19-17(14-18)15-20-22(19)27-24(30)23-25-12-13-28(20)23/h1-3,6-7,10-14H,4-5,8-9,15H2,(H,26,29)(H,27,30).
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(15),11,13-hexaen-13-yl)-5-phenylpentanamide?
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide has a molecular weight of 398.47 g/mol, XLogP of 3.95, 6 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(15),11,13-hexaen-13-yl)-5-phenylpentanamide is sourced from PubChem (CID 15293019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).