N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide

C18H15NO3 — CID 916027

IUPACN-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-2-15(20)19-12-9-7-11(8-10-12)16-17(21)13-5-3-4-6-14(13)18(16)22/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyXXHWMZRYXTZBOD-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.20
Rot. Bonds3

About N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide

N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide (PubChem CID 916027) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide
PubChem CID916027
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-2-15(20)19-12-9-7-11(8-10-12)16-17(21)13-5-3-4-6-14(13)18(16)22/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyXXHWMZRYXTZBOD-UHFFFAOYSA-N
XLogP3.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide?
The IUPAC name of N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide (CID 916027) is N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide is CCC(=O)Nc1ccc(C2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide?
The InChIKey is XXHWMZRYXTZBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-15(20)19-12-9-7-11(8-10-12)16-17(21)13-5-3-4-6-14(13)18(16)22/h3-10,16H,2H2,1H3,(H,19,20).
What are the key properties of N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide?
N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide has a molecular weight of 293.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoinden-2-yl)phenyl]propanamide is sourced from PubChem (CID 916027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).