N-[4-(2-oxochromen-3-yl)phenyl]propanamide

C18H15NO3 — CID 1141750

IUPACN-[4-(2-oxochromen-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C18H15NO3/c1-2-17(20)19-14-9-7-12(8-10-14)15-11-13-5-3-4-6-16(13)22-18(15)21/h3-11H,2H2,1H3,(H,19,20)
InChIKeyJGSMZYCCTKVIOB-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.81
Rot. Bonds3

About N-[4-(2-oxochromen-3-yl)phenyl]propanamide

N-[4-(2-oxochromen-3-yl)phenyl]propanamide (PubChem CID 1141750) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[4-(2-oxochromen-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-oxochromen-3-yl)phenyl]propanamide
PubChem CID1141750
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-[4-(2-oxochromen-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C18H15NO3/c1-2-17(20)19-14-9-7-12(8-10-14)15-11-13-5-3-4-6-16(13)22-18(15)21/h3-11H,2H2,1H3,(H,19,20)
InChIKeyJGSMZYCCTKVIOB-UHFFFAOYSA-N
XLogP3.81
TPSA59.31 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxochromen-3-yl)phenyl]propanamide?
The IUPAC name of N-[4-(2-oxochromen-3-yl)phenyl]propanamide (CID 1141750) is N-[4-(2-oxochromen-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-oxochromen-3-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-oxochromen-3-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[4-(2-oxochromen-3-yl)phenyl]propanamide?
The InChIKey is JGSMZYCCTKVIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-17(20)19-14-9-7-12(8-10-14)15-11-13-5-3-4-6-16(13)22-18(15)21/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-[4-(2-oxochromen-3-yl)phenyl]propanamide?
N-[4-(2-oxochromen-3-yl)phenyl]propanamide has a molecular weight of 293.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxochromen-3-yl)phenyl]propanamide is sourced from PubChem (CID 1141750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).