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

C24H24N4O5 — CID 42536378

IUPACN-(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
SMILESCOc1ccccc1NC(=O)Cn1cnc2c(oc3nc(C)c4c(c32)CC(C)(C)OC4)c1=O
InChIInChI=1S/C24H24N4O5/c1-13-15-11-32-24(2,3)9-14(15)19-20-21(33-22(19)26-13)23(30)28(12-25-20)10-18(29)27-16-7-5-6-8-17(16)31-4/h5-8,12H,9-11H2,1-4H3,(H,27,29)
InChIKeyBGURETAAYRXXDJ-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.34
Rot. Bonds4

About 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

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 (PubChem CID 42536378) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID42536378
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC NameN-(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
SMILESCOc1ccccc1NC(=O)Cn1cnc2c(oc3nc(C)c4c(c32)CC(C)(C)OC4)c1=O
InChIInChI=1S/C24H24N4O5/c1-13-15-11-32-24(2,3)9-14(15)19-20-21(33-22(19)26-13)23(30)28(12-25-20)10-18(29)27-16-7-5-6-8-17(16)31-4/h5-8,12H,9-11H2,1-4H3,(H,27,29)
InChIKeyBGURETAAYRXXDJ-UHFFFAOYSA-N
XLogP3.34
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086653
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
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-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-methoxyphenyl)propanamide
CID 4886535
2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 1251131
3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 6488740
2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 40825169
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
2-(9-chloro-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 95920734
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433650
N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433592

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1NC(=O)Cn1cnc2c(oc3nc(C)c4c(c32)CC(C)(C)OC4)c1=O.
What is the InChIKey of 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?
The InChIKey is BGURETAAYRXXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-13-15-11-32-24(2,3)9-14(15)19-20-21(33-22(19)26-13)23(30)28(12-25-20)10-18(29)27-16-7-5-6-8-17(16)31-4/h5-8,12H,9-11H2,1-4H3,(H,27,29).
What are the key properties of 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?
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 has a molecular weight of 448.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 42536378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).