N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide

C19H17NO4 — CID 2963714

IUPACN-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cc3ccccc3oc2=O)ccc1OC
InChIInChI=1S/C19H17NO4/c1-3-18(21)20-15-11-12(8-9-17(15)23-2)14-10-13-6-4-5-7-16(13)24-19(14)22/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeySSAAOTGIECNAOY-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.82
Rot. Bonds4

About N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide

N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide (PubChem CID 2963714) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide
PubChem CID2963714
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cc3ccccc3oc2=O)ccc1OC
InChIInChI=1S/C19H17NO4/c1-3-18(21)20-15-11-12(8-9-17(15)23-2)14-10-13-6-4-5-7-16(13)24-19(14)22/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeySSAAOTGIECNAOY-UHFFFAOYSA-N
XLogP3.82
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide?
The IUPAC name of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide (CID 2963714) is N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide?
The canonical SMILES for N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide is CCC(=O)Nc1cc(-c2cc3ccccc3oc2=O)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide?
The InChIKey is SSAAOTGIECNAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-18(21)20-15-11-12(8-9-17(15)23-2)14-10-13-6-4-5-7-16(13)24-19(14)22/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide?
N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide has a molecular weight of 323.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]propanamide is sourced from PubChem (CID 2963714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).