N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide

C20H18N2O4 — CID 110604617

IUPACN-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1)C1CC1
InChIInChI=1S/C20H18N2O4/c23-18(13-8-9-13)21-14-4-3-5-15(12-14)26-11-10-22-19(24)16-6-1-2-7-17(16)20(22)25/h1-7,12-13H,8-11H2,(H,21,23)
InChIKeyOKWPFLKYPVGKKB-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.71
Rot. Bonds6

About N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 110604617) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID110604617
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1)C1CC1
InChIInChI=1S/C20H18N2O4/c23-18(13-8-9-13)21-14-4-3-5-15(12-14)26-11-10-22-19(24)16-6-1-2-7-17(16)20(22)25/h1-7,12-13H,8-11H2,(H,21,23)
InChIKeyOKWPFLKYPVGKKB-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
CID 19318740
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione
CID 67316336
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
CID 65019096
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
N-[3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 35604613
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate
CID 14917019
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide (CID 110604617) is N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1)C1CC1.
What is the InChIKey of N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is OKWPFLKYPVGKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18(13-8-9-13)21-14-4-3-5-15(12-14)26-11-10-22-19(24)16-6-1-2-7-17(16)20(22)25/h1-7,12-13H,8-11H2,(H,21,23).
What are the key properties of N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 110604617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).