N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide

C23H32N6O2 — CID 51894035

IUPACN-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide
SMILESCOc1ccc(C2CC3C4NN=C(CCC(=O)NC5CCCCC5)N4C=CN3N2)cc1
InChIInChI=1S/C23H32N6O2/c1-31-18-9-7-16(8-10-18)19-15-20-23-26-25-21(28(23)13-14-29(20)27-19)11-12-22(30)24-17-5-3-2-4-6-17/h7-10,13-14,17,19-20,23,26-27H,2-6,11-12,15H2,1H3,(H,24,30)
InChIKeyMXJXPOHXFOAJJZ-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.57
Rot. Bonds6

About N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide

N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide (PubChem CID 51894035) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide
PubChem CID51894035
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC NameN-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide
SMILESCOc1ccc(C2CC3C4NN=C(CCC(=O)NC5CCCCC5)N4C=CN3N2)cc1
InChIInChI=1S/C23H32N6O2/c1-31-18-9-7-16(8-10-18)19-15-20-23-26-25-21(28(23)13-14-29(20)27-19)11-12-22(30)24-17-5-3-2-4-6-17/h7-10,13-14,17,19-20,23,26-27H,2-6,11-12,15H2,1H3,(H,24,30)
InChIKeyMXJXPOHXFOAJJZ-UHFFFAOYSA-N
XLogP2.57
TPSA81.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide with MolForge

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Related Compounds

3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 51894046
3-[11-(4-butoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53076393
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[11-(3,4-dimethylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide
CID 53006849
N-(2,4-dimethoxyphenyl)-2-[[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]sulfanyl]acetamide
CID 51893980
N-(4-fluorophenyl)-2-[[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]sulfanyl]acetamide
CID 51893992
N-(2,4-dimethylphenyl)-2-[[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]sulfanyl]acetamide
CID 53038876
ethyl 4-[[2-[[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]sulfanyl]acetyl]amino]benzoate
CID 53038881
N-(2,4-dimethoxyphenyl)-2-[11-(4-methoxyphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodec-7-en-4-yl]acetamide
CID 52992396
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
methyl 4-[[2-[[11-(4-methylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]sulfanyl]acetyl]amino]benzoate
CID 53038587
N-(4-fluorophenyl)-2-[[11-(4-fluorophenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]sulfanyl]acetamide
CID 51893897
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide (CID 51894035) is N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide is COc1ccc(C2CC3C4NN=C(CCC(=O)NC5CCCCC5)N4C=CN3N2)cc1.
What is the InChIKey of N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide?
The InChIKey is MXJXPOHXFOAJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-31-18-9-7-16(8-10-18)19-15-20-23-26-25-21(28(23)13-14-29(20)27-19)11-12-22(30)24-17-5-3-2-4-6-17/h7-10,13-14,17,19-20,23,26-27H,2-6,11-12,15H2,1H3,(H,24,30).
What are the key properties of N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide?
N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide has a molecular weight of 424.55 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propanamide is sourced from PubChem (CID 51894035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).