2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide

C22H22N6O2 — CID 46960108

IUPAC2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)NCCc1ccccc1
InChIInChI=1S/C22H22N6O2/c29-19(23-13-11-16-7-2-1-3-8-16)15-27-22(30)28-18-10-5-4-9-17(18)20-24-12-6-14-26(20)21(28)25-27/h1-5,7-10H,6,11-15H2,(H,23,29)
InChIKeyNSKHAMNFVHPTTN-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.36
Rot. Bonds5

About 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide

2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 46960108) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID46960108
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)NCCc1ccccc1
InChIInChI=1S/C22H22N6O2/c29-19(23-13-11-16-7-2-1-3-8-16)15-27-22(30)28-18-10-5-4-9-17(18)20-24-12-6-14-26(20)21(28)25-27/h1-5,7-10H,6,11-15H2,(H,23,29)
InChIKeyNSKHAMNFVHPTTN-UHFFFAOYSA-N
XLogP1.36
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
CID 19485535
2-[5-(2-chlorophenyl)-8-oxo-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl]-N-propylacetamide
CID 92587363
N-(2-methoxyethyl)-2-[5-(2-methylphenyl)-8-oxo-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl]acetamide
CID 95798822
3-[2-oxo-2-(2-phenylethylamino)ethyl]triazole-4-carboxylic acid
CID 82202621
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 51052835
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305
2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7658916
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 86920638
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 126457056
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 16676871

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide (CID 46960108) is 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide is O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)NCCc1ccccc1.
What is the InChIKey of 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is NSKHAMNFVHPTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-19(23-13-11-16-7-2-1-3-8-16)15-27-22(30)28-18-10-5-4-9-17(18)20-24-12-6-14-26(20)21(28)25-27/h1-5,7-10H,6,11-15H2,(H,23,29).
What are the key properties of 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide?
2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 402.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 46960108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).