N-(2-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 4970803

IUPACN-(2-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
SMILESCOc1ccccc1NC(=O)Cn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O
InChIInChI=1S/C22H20N4O4/c1-29-17-9-5-4-8-16(17)24-18(27)11-26-12-23-19-14-10-13-6-2-3-7-15(13)25-21(14)30-20(19)22(26)28/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,24,27)
InChIKeyBPFLOGZPAIUFQW-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.06
Rot. Bonds4

About N-(2-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-(2-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 4970803) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(2-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-(2-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 CID4970803
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-(2-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
SMILESCOc1ccccc1NC(=O)Cn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O
InChIInChI=1S/C22H20N4O4/c1-29-17-9-5-4-8-16(17)24-18(27)11-26-12-23-19-14-10-13-6-2-3-7-15(13)25-21(14)30-20(19)22(26)28/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,24,27)
InChIKeyBPFLOGZPAIUFQW-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-(2-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-(2-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-(2-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 4970803) is N-(2-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-(2-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-(2-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 COc1ccccc1NC(=O)Cn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O.
What is the InChIKey of N-(2-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 BPFLOGZPAIUFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-29-17-9-5-4-8-16(17)24-18(27)11-26-12-23-19-14-10-13-6-2-3-7-15(13)25-21(14)30-20(19)22(26)28/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,24,27).
What are the key properties of N-(2-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-(2-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-(2-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 4970803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).