N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide

C24H24N6O3 — CID 92558569

IUPACN-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide
SMILESCOc1cccc(CNC(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccc(C)cc4)c32)c1
InChIInChI=1S/C24H24N6O3/c1-16-6-8-18(9-7-16)30-23-20(14-27-30)22-25-10-11-28(22)24(32)29(23)15-21(31)26-13-17-4-3-5-19(12-17)33-2/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,26,31)
InChIKeyZWPOMCKIXZRZRT-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.51
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide

N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide (PubChem CID 92558569) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide
PubChem CID92558569
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide
SMILESCOc1cccc(CNC(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccc(C)cc4)c32)c1
InChIInChI=1S/C24H24N6O3/c1-16-6-8-18(9-7-16)30-23-20(14-27-30)22-25-10-11-28(22)24(32)29(23)15-21(31)26-13-17-4-3-5-19(12-17)33-2/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,26,31)
InChIKeyZWPOMCKIXZRZRT-UHFFFAOYSA-N
XLogP2.51
TPSA92.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide
CID 46952558
N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide
CID 46952561
2-(15-chloro-3-oxo-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 95808472
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 8997331
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 51138342
2-[2-(3-methoxyphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 16832218
N-[(3-methoxyphenyl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24608696
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20932081
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408
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CID 86923582

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide (CID 92558569) is N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide is COc1cccc(CNC(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccc(C)cc4)c32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide?
The InChIKey is ZWPOMCKIXZRZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-16-6-8-18(9-7-16)30-23-20(14-27-30)22-25-10-11-28(22)24(32)29(23)15-21(31)26-13-17-4-3-5-19(12-17)33-2/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,26,31).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[10-(4-methylphenyl)-7-oxo-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl]acetamide is sourced from PubChem (CID 92558569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).