N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide

C19H26N2O3 — CID 156601784

IUPACN-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC23CCCC2N(C)C(=O)CC3)cc1
InChIInChI=1S/C19H26N2O3/c1-14-5-7-15(8-6-14)24-12-17(22)20-13-19-10-3-4-16(19)21(2)18(23)9-11-19/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyHUKFNVDSVYXDLK-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.28
Rot. Bonds5

About N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide

N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 156601784) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID156601784
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC23CCCC2N(C)C(=O)CC3)cc1
InChIInChI=1S/C19H26N2O3/c1-14-5-7-15(8-6-14)24-12-17(22)20-13-19-10-3-4-16(19)21(2)18(23)9-11-19/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyHUKFNVDSVYXDLK-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide (CID 156601784) is N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC23CCCC2N(C)C(=O)CC3)cc1.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is HUKFNVDSVYXDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-5-7-15(8-6-14)24-12-17(22)20-13-19-10-3-4-16(19)21(2)18(23)9-11-19/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,22).
What are the key properties of N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide?
N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 156601784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).