2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide

C23H24N2O5 — CID 2968365

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(N4CCOCC4)cc3)ccc12
InChIInChI=1S/C23H24N2O5/c1-15-13-22(26)30-21-14-19(7-8-20(15)21)29-16(2)23(27)24-17-3-5-18(6-4-17)25-9-11-28-12-10-25/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,27)
InChIKeyWQLBDSKFCHGAJD-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 2968365) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID2968365
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(N4CCOCC4)cc3)ccc12
InChIInChI=1S/C23H24N2O5/c1-15-13-22(26)30-21-14-19(7-8-20(15)21)29-16(2)23(27)24-17-3-5-18(6-4-17)25-9-11-28-12-10-25/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,27)
InChIKeyWQLBDSKFCHGAJD-UHFFFAOYSA-N
XLogP3.34
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide (CID 2968365) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide is Cc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(N4CCOCC4)cc3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is WQLBDSKFCHGAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15-13-22(26)30-21-14-19(7-8-20(15)21)29-16(2)23(27)24-17-3-5-18(6-4-17)25-9-11-28-12-10-25/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 408.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 2968365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).