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-(3-methylphenyl)acetamide

C23H22N4O4 — CID 4885837

IUPAC2-(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-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)COC(C)(C)C5)c2=O)c1
InChIInChI=1S/C23H22N4O4/c1-13-5-4-6-15(7-13)25-18(28)10-27-12-24-19-16-8-14-11-30-23(2,3)9-17(14)26-21(16)31-20(19)22(27)29/h4-8,12H,9-11H2,1-3H3,(H,25,28)
InChIKeyIDRWIFPRRLSRHP-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.34
Rot. Bonds3

About 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-(3-methylphenyl)acetamide

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-(3-methylphenyl)acetamide (PubChem CID 4885837) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 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-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(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-(3-methylphenyl)acetamide
PubChem CID4885837
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-(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-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)COC(C)(C)C5)c2=O)c1
InChIInChI=1S/C23H22N4O4/c1-13-5-4-6-15(7-13)25-18(28)10-27-12-24-19-16-8-14-11-30-23(2,3)9-17(14)26-21(16)31-20(19)22(27)29/h4-8,12H,9-11H2,1-3H3,(H,25,28)
InChIKeyIDRWIFPRRLSRHP-UHFFFAOYSA-N
XLogP3.34
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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-(3-methylphenyl)acetamide with MolForge

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Related Compounds

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CID 705157
Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1075883
Methanone, (1-amino-8,9-dihydro-8,8-dimethyl-5-propyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1894276
10-methyl-4,8-diphenyl-3,4-dihydro-1H-pyrido[3',2':4,5]furo[3,2-e][1,4]diazepine-2,5-dione
CID 2816989
10-methyl-4-(4-methylphenyl)-8-phenyl-3,4-dihydro-1H-pyrido[3',2':4,5]furo[3,2-e][1,4]diazepine-2,5-dione
CID 2817074
2-(2-Methyl-allyl)-6,7,8,9-tetrahydro-2H-11-oxa-2,4,10-triaza-benzo[b]fluoren-1-one
CID 4859124
2-Butyl-6,7,8,9-tetrahydro-2H-11-oxa-2,4,10-triaza-benzo[b]fluoren-1-one
CID 4885948
3-(3-phenylpropyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-4(3H)-one
CID 4894287
2-(3-Methyl-butyl)-6,7,8,9-tetrahydro-2H-11-oxa-2,4,10-triaza-benzo[b]fluoren-1-one
CID 4896393
5-Isopropyl-2,2-dimethyl-1,4-dihydro-2H,9H-3,7-dioxa-6,9,11-triaza-benzo[c]fluoren-8-one
CID 135456266
2,2,5-Trimethyl-1,4-dihydro-2H,9H-3,7-dioxa-6,9,11-triaza-benzo[c]fluoren-8-one
CID 135465140
2,2-Dimethyl-5-propyl-1,4-dihydro-2H,9H-3,7-dioxa-6,9,11-triaza-benzo[c]fluoren-8-one
CID 135520779

Frequently Asked Questions

What is the IUPAC name of 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-(3-methylphenyl)acetamide?
The IUPAC name of 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-(3-methylphenyl)acetamide (CID 4885837) is 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-(3-methylphenyl)acetamide.
What is the SMILES notation for 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-(3-methylphenyl)acetamide?
The canonical SMILES for 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-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)COC(C)(C)C5)c2=O)c1.
What is the InChIKey of 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-(3-methylphenyl)acetamide?
The InChIKey is IDRWIFPRRLSRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-13-5-4-6-15(7-13)25-18(28)10-27-12-24-19-16-8-14-11-30-23(2,3)9-17(14)26-21(16)31-20(19)22(27)29/h4-8,12H,9-11H2,1-3H3,(H,25,28).
What are the key properties of 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-(3-methylphenyl)acetamide?
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-(3-methylphenyl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 4885837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).