2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide

C18H22N2O3 — CID 91920212

IUPAC2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCC23CCC=C2NC(=O)CC3)cc1
InChIInChI=1S/C18H22N2O3/c1-13-4-6-14(7-5-13)23-11-17(22)19-12-18-9-2-3-15(18)20-16(21)8-10-18/h3-7H,2,8-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyWNHDSJALWYATSQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.06
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide

2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide (PubChem CID 91920212) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide
PubChem CID91920212
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCC23CCC=C2NC(=O)CC3)cc1
InChIInChI=1S/C18H22N2O3/c1-13-4-6-14(7-5-13)23-11-17(22)19-12-18-9-2-3-15(18)20-16(21)8-10-18/h3-7H,2,8-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyWNHDSJALWYATSQ-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide (CID 91920212) is 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide is Cc1ccc(OCC(=O)NCC23CCC=C2NC(=O)CC3)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide?
The InChIKey is WNHDSJALWYATSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-4-6-14(7-5-13)23-11-17(22)19-12-18-9-2-3-15(18)20-16(21)8-10-18/h3-7H,2,8-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide?
2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide is sourced from PubChem (CID 91920212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).