2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide

C26H22N4O5 — CID 42537121

IUPAC2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide
SMILESCC1(C)Cc2c(c(-c3ccco3)nc3oc4c(=O)n(CC(=O)Nc5ccccc5)cnc4c23)CO1
InChIInChI=1S/C26H22N4O5/c1-26(2)11-16-17(13-34-26)21(18-9-6-10-33-18)29-24-20(16)22-23(35-24)25(32)30(14-27-22)12-19(31)28-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,28,31)
InChIKeyCXZMSMYVKGJHFR-UHFFFAOYSA-N
MW470.49 g/mol
LogP4.29
Rot. Bonds4

About 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide

2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide (PubChem CID 42537121) has the molecular formula C26H22N4O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide
PubChem CID42537121
Molecular FormulaC26H22N4O5
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide
SMILESCC1(C)Cc2c(c(-c3ccco3)nc3oc4c(=O)n(CC(=O)Nc5ccccc5)cnc4c23)CO1
InChIInChI=1S/C26H22N4O5/c1-26(2)11-16-17(13-34-26)21(18-9-6-10-33-18)29-24-20(16)22-23(35-24)25(32)30(14-27-22)12-19(31)28-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,28,31)
InChIKeyCXZMSMYVKGJHFR-UHFFFAOYSA-N
XLogP4.29
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide with MolForge

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Related Compounds

8-(furan-2-yl)-4,4,14-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
CID 42535471
N-(2-methoxyphenyl)-2-(4,4,8-trimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-14-yl)acetamide
CID 42536378
4,4-dimethyl-14-(2-phenylethyl)-8-propan-2-yl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
CID 42535243
2-[9-(furan-2-yl)-5,5-dimethyl-15-oxo-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-14-yl]acetamide
CID 168665553
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide
CID 42534100
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
5,5-dimethyl-14-(2-phenylethyl)-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one
CID 4886721
14-[2-(4-bromophenyl)-2-oxoethyl]-5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one
CID 4891191
3-methyl-N-[4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]phenyl]butanamide
CID 34597443
7-(2-methylpropyl)-13-phenacyl-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-12-one
CID 42537060
N-[4-(azepan-1-yl)phenyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26817386

Frequently Asked Questions

What is the IUPAC name of 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide?
The IUPAC name of 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide (CID 42537121) is 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide?
The canonical SMILES for 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide is CC1(C)Cc2c(c(-c3ccco3)nc3oc4c(=O)n(CC(=O)Nc5ccccc5)cnc4c23)CO1.
What is the InChIKey of 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide?
The InChIKey is CXZMSMYVKGJHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5/c1-26(2)11-16-17(13-34-26)21(18-9-6-10-33-18)29-24-20(16)22-23(35-24)25(32)30(14-27-22)12-19(31)28-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,28,31).
What are the key properties of 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide?
2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide has a molecular weight of 470.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(furan-2-yl)-4,4-dimethyl-13-oxo-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl]-N-phenylacetamide is sourced from PubChem (CID 42537121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).