N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide

C18H20N2O4 — CID 139907222

IUPACN-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2c(c1=O)CCC2)Nc1ccc(OCCO)cc1
InChIInChI=1S/C18H20N2O4/c21-8-9-24-14-6-4-13(5-7-14)20-17(22)10-12-11-19-16-3-1-2-15(16)18(12)23/h4-7,11,21H,1-3,8-10H2,(H,19,23)(H,20,22)
InChIKeyARXIHDYIHPNLIK-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.42
Rot. Bonds6

About N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide

N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide (PubChem CID 139907222) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide
PubChem CID139907222
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2c(c1=O)CCC2)Nc1ccc(OCCO)cc1
InChIInChI=1S/C18H20N2O4/c21-8-9-24-14-6-4-13(5-7-14)20-17(22)10-12-11-19-16-3-1-2-15(16)18(12)23/h4-7,11,21H,1-3,8-10H2,(H,19,23)(H,20,22)
InChIKeyARXIHDYIHPNLIK-UHFFFAOYSA-N
XLogP1.42
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 59983939
2-cyclopentyl-N-[4-(2-hydroxyethoxy)phenyl]acetamide
CID 111116192
N-[4-(2-hydroxyethoxy)phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 111116175
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 26163422
(Z)-4-[4-(2-hydroxyethoxy)anilino]-4-oxobut-2-enoic acid
CID 146213829
3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116250
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
methyl-N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]phenoxy]ethyl]-N-propylboronamidic acid
CID 59917848
3-(furan-2-yl)-N-[4-(2-hydroxyethoxy)phenyl]propanamide
CID 111116197

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide?
The IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide (CID 139907222) is N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide is O=C(Cc1c[nH]c2c(c1=O)CCC2)Nc1ccc(OCCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide?
The InChIKey is ARXIHDYIHPNLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-8-9-24-14-6-4-13(5-7-14)20-17(22)10-12-11-19-16-3-1-2-15(16)18(12)23/h4-7,11,21H,1-3,8-10H2,(H,19,23)(H,20,22).
What are the key properties of N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide?
N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide is sourced from PubChem (CID 139907222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).