N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide

C22H20N4O4 — CID 4893770

IUPACN-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)CCCC5)c2=O)c1
InChIInChI=1S/C22H20N4O4/c1-29-15-7-4-6-14(10-15)24-18(27)11-26-12-23-19-16-9-13-5-2-3-8-17(13)25-21(16)30-20(19)22(26)28/h4,6-7,9-10,12H,2-3,5,8,11H2,1H3,(H,24,27)
InChIKeyFEPBGXIHDFJTKR-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.06
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide

N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide (PubChem CID 4893770) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide
PubChem CID4893770
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)CCCC5)c2=O)c1
InChIInChI=1S/C22H20N4O4/c1-29-15-7-4-6-14(10-15)24-18(27)11-26-12-23-19-16-9-13-5-2-3-8-17(13)25-21(16)30-20(19)22(26)28/h4,6-7,9-10,12H,2-3,5,8,11H2,1H3,(H,24,27)
InChIKeyFEPBGXIHDFJTKR-UHFFFAOYSA-N
XLogP3.06
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide (CID 4893770) is N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide is COc1cccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)CCCC5)c2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide?
The InChIKey is FEPBGXIHDFJTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-29-15-7-4-6-14(10-15)24-18(27)11-26-12-23-19-16-9-13-5-2-3-8-17(13)25-21(16)30-20(19)22(26)28/h4,6-7,9-10,12H,2-3,5,8,11H2,1H3,(H,24,27).
What are the key properties of N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide?
N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide has a molecular weight of 404.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide is sourced from PubChem (CID 4893770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).