N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide

C18H20N2O4 — CID 59983939

IUPACN-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1c[nH]c2c1C(=O)CCCC2
InChIInChI=1S/C18H20N2O4/c21-9-10-24-13-7-5-12(6-8-13)20-18(23)14-11-19-15-3-1-2-4-16(22)17(14)15/h5-8,11,19,21H,1-4,9-10H2,(H,20,23)
InChIKeyAWIZFTRDNDSGLH-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.55
Rot. Bonds5

About N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide

N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide (PubChem CID 59983939) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
PubChem CID59983939
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1c[nH]c2c1C(=O)CCCC2
InChIInChI=1S/C18H20N2O4/c21-9-10-24-13-7-5-12(6-8-13)20-18(23)14-11-19-15-3-1-2-4-16(22)17(14)15/h5-8,11,19,21H,1-4,9-10H2,(H,20,23)
InChIKeyAWIZFTRDNDSGLH-UHFFFAOYSA-N
XLogP2.55
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]phenoxy]ethyl]-N-propylboronamidic acid
CID 59917848
4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
CID 18696546
N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 59917838
N-[4-(2-hydroxyethoxy)phenyl]-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)acetamide
CID 139907222
4-methyl-N-(4-pentoxyphenyl)-5-thia-3,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene-13-carboxamide
CID 91400095
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 10222385
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 46552704
2-chloro-N-[4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxamide
CID 111113147
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24575649
2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116203

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide (CID 59983939) is N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide is O=C(Nc1ccc(OCCO)cc1)c1c[nH]c2c1C(=O)CCCC2.
What is the InChIKey of N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
The InChIKey is AWIZFTRDNDSGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-9-10-24-13-7-5-12(6-8-13)20-18(23)14-11-19-15-3-1-2-4-16(22)17(14)15/h5-8,11,19,21H,1-4,9-10H2,(H,20,23).
What are the key properties of N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.55, 5 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]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide is sourced from PubChem (CID 59983939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).