N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide

C17H14N2O4 — CID 893889

IUPACN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H14N2O4/c1-2-15(20)18-10-3-5-11(6-4-10)23-12-7-8-13-14(9-12)17(22)19-16(13)21/h3-9H,2H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyRJYKFRJAAHQRED-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.71
Rot. Bonds4

About N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide

N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide (PubChem CID 893889) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
PubChem CID893889
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H14N2O4/c1-2-15(20)18-10-3-5-11(6-4-10)23-12-7-8-13-14(9-12)17(22)19-16(13)21/h3-9H,2H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyRJYKFRJAAHQRED-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
Amphotalide
CID 71806
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
5-Benzyloxyisatin
CID 16792980
(4S)-4-amino-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide
CID 24901643
2-[4-(dimethylamino)phenyl]-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25242570
5-(2-Fluoroethoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266309
2-[4-(Dimethylamino)phenyl]-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25266310
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide (CID 893889) is N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide is CCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide?
The InChIKey is RJYKFRJAAHQRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-2-15(20)18-10-3-5-11(6-4-10)23-12-7-8-13-14(9-12)17(22)19-16(13)21/h3-9H,2H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide?
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide has a molecular weight of 310.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide is sourced from PubChem (CID 893889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).