N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide

C19H17NO5 — CID 71451367

IUPACN-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C19H17NO5/c1-12(19(22)20-13-7-9-14(23-2)10-8-13)24-17-11-18(21)25-16-6-4-3-5-15(16)17/h3-12H,1-2H3,(H,20,22)
InChIKeyASSTVEILTHMGDM-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.21
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide

N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide (PubChem CID 71451367) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide
PubChem CID71451367
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C19H17NO5/c1-12(19(22)20-13-7-9-14(23-2)10-8-13)24-17-11-18(21)25-16-6-4-3-5-15(16)17/h3-12H,1-2H3,(H,20,22)
InChIKeyASSTVEILTHMGDM-UHFFFAOYSA-N
XLogP3.21
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide (CID 71451367) is N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide is COc1ccc(NC(=O)C(C)Oc2cc(=O)oc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide?
The InChIKey is ASSTVEILTHMGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-12(19(22)20-13-7-9-14(23-2)10-8-13)24-17-11-18(21)25-16-6-4-3-5-15(16)17/h3-12H,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide?
N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide has a molecular weight of 339.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-oxochromen-4-yl)oxypropanamide is sourced from PubChem (CID 71451367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).