N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide

C20H20N6O3 — CID 95097083

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3nnc(C)n3c3ncccc32)cc1
InChIInChI=1S/C20H20N6O3/c1-12(14-6-8-15(29-3)9-7-14)22-17(27)11-25-16-5-4-10-21-18(16)26-13(2)23-24-19(26)20(25)28/h4-10,12H,11H2,1-3H3,(H,22,27)/t12-/m1/s1
InChIKeyBXIVKAWFPHNSSB-GFCCVEGCSA-N
MW392.42 g/mol
LogP1.63
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide (PubChem CID 95097083) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
PubChem CID95097083
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3nnc(C)n3c3ncccc32)cc1
InChIInChI=1S/C20H20N6O3/c1-12(14-6-8-15(29-3)9-7-14)22-17(27)11-25-16-5-4-10-21-18(16)26-13(2)23-24-19(26)20(25)28/h4-10,12H,11H2,1-3H3,(H,22,27)/t12-/m1/s1
InChIKeyBXIVKAWFPHNSSB-GFCCVEGCSA-N
XLogP1.63
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide with MolForge

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Related Compounds

N-butan-2-yl-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53149154
N-(4-methoxy-2-methylphenyl)-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53149214
3-methyl-8-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 53149201
2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 92733229
2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 53149181
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841493
N-[(2,5-difluorophenyl)methyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53149148
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
CID 71841464
N-[1-(4-methoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506042
3-methyl-8-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 53149210
2-(5-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 121349805
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 66195635

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide (CID 95097083) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide is COc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3nnc(C)n3c3ncccc32)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide?
The InChIKey is BXIVKAWFPHNSSB-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-12(14-6-8-15(29-3)9-7-14)22-17(27)11-25-16-5-4-10-21-18(16)26-13(2)23-24-19(26)20(25)28/h4-10,12H,11H2,1-3H3,(H,22,27)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide has a molecular weight of 392.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide is sourced from PubChem (CID 95097083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).