methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate

C23H23F3N4O5 — CID 178110737

IUPACmethyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate
SMILESCOC(=O)Nc1c(C(N)=O)c2c(C(F)(F)F)nc3c(c2n1-c1c(C)ccc(OC)c1C)OCC3C
InChIInChI=1S/C23H23F3N4O5/c1-9-6-7-12(33-4)11(3)16(9)30-17-13(14(20(27)31)21(30)29-22(32)34-5)19(23(24,25)26)28-15-10(2)8-35-18(15)17/h6-7,10H,8H2,1-5H3,(H2,27,31)(H,29,32)
InChIKeyITUCJVFJWGRNQH-UHFFFAOYSA-N
MW492.45 g/mol
LogP4.44
Rot. Bonds4

About methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate

methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate (PubChem CID 178110737) has the molecular formula C23H23F3N4O5 and a molecular weight of 492.45 g/mol. Its IUPAC name is methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate
PubChem CID178110737
Molecular FormulaC23H23F3N4O5
Molecular Weight492.45 g/mol
Exact Mass492.16
IUPAC Namemethyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate
SMILESCOC(=O)Nc1c(C(N)=O)c2c(C(F)(F)F)nc3c(c2n1-c1c(C)ccc(OC)c1C)OCC3C
InChIInChI=1S/C23H23F3N4O5/c1-9-6-7-12(33-4)11(3)16(9)30-17-13(14(20(27)31)21(30)29-22(32)34-5)19(23(24,25)26)28-15-10(2)8-35-18(15)17/h6-7,10H,8H2,1-5H3,(H2,27,31)(H,29,32)
InChIKeyITUCJVFJWGRNQH-UHFFFAOYSA-N
XLogP4.44
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate?
The IUPAC name of methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate (CID 178110737) is methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate.
What is the SMILES notation for methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate?
The canonical SMILES for methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate is COC(=O)Nc1c(C(N)=O)c2c(C(F)(F)F)nc3c(c2n1-c1c(C)ccc(OC)c1C)OCC3C.
What is the InChIKey of methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate?
The InChIKey is ITUCJVFJWGRNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O5/c1-9-6-7-12(33-4)11(3)16(9)30-17-13(14(20(27)31)21(30)29-22(32)34-5)19(23(24,25)26)28-15-10(2)8-35-18(15)17/h6-7,10H,8H2,1-5H3,(H2,27,31)(H,29,32).
What are the key properties of methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate?
methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate has a molecular weight of 492.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-8-(trifluoromethyl)-3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7,10-tetraen-11-yl]carbamate is sourced from PubChem (CID 178110737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).