N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide

C20H28N2O3 — CID 135109820

IUPACN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c1C
InChIInChI=1S/C20H28N2O3/c1-12-5-6-13(2)20(14(12)3)25-11-19(24)22(4)17-7-15-9-18(23)21-10-16(15)8-17/h5-6,15-17H,7-11H2,1-4H3,(H,21,23)/t15-,16+,17-/m1/s1
InChIKeyFVFBJXXBVSERMP-IXDOHACOSA-N
MW344.45 g/mol
LogP2.36
Rot. Bonds4

About N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 135109820) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID135109820
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c1C
InChIInChI=1S/C20H28N2O3/c1-12-5-6-13(2)20(14(12)3)25-11-19(24)22(4)17-7-15-9-18(23)21-10-16(15)8-17/h5-6,15-17H,7-11H2,1-4H3,(H,21,23)/t15-,16+,17-/m1/s1
InChIKeyFVFBJXXBVSERMP-IXDOHACOSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide with MolForge

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Related Compounds

N-(1-methyl(4-piperidyl))-2-[5-methyl-2-(methylethyl)phenoxy]acetamide
CID 2971269
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-2-methoxy-acetamide
CID 57387696
N-[2-(cyclopentanecarbonylamino)ethyl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 75374389
N-cyclopentyl-2-(2,3,5-trimethylphenoxy)acetamide
CID 848252
N-cyclohexyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 731117
N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 156601784
1-(2-{1-[(2,3,6-Trimethylphenoxy)acetyl]piperidin-4-yl}ethyl)pyrrolidin-2-one
CID 46995404
1-[2-(2,3-dimethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 30888678
2-(4-fluorophenyl)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108538669
2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548713
2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108549687
N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553211

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide (CID 135109820) is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c1C.
What is the InChIKey of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is FVFBJXXBVSERMP-IXDOHACOSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-12-5-6-13(2)20(14(12)3)25-11-19(24)22(4)17-7-15-9-18(23)21-10-16(15)8-17/h5-6,15-17H,7-11H2,1-4H3,(H,21,23)/t15-,16+,17-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide?
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 344.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 135109820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).