N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide

C25H21NO5 — CID 3841811

IUPACN-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1
InChIInChI=1S/C25H21NO5/c1-16(25(28)26-18-8-10-19(29-2)11-9-18)30-20-12-13-21-22(17-6-4-3-5-7-17)15-24(27)31-23(21)14-20/h3-16H,1-2H3,(H,26,28)
InChIKeyMNZJUZFZFRKBCR-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.87
Rot. Bonds6

About N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide

N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (PubChem CID 3841811) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
PubChem CID3841811
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC NameN-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1
InChIInChI=1S/C25H21NO5/c1-16(25(28)26-18-8-10-19(29-2)11-9-18)30-20-12-13-21-22(17-6-4-3-5-7-17)15-24(27)31-23(21)14-20/h3-16H,1-2H3,(H,26,28)
InChIKeyMNZJUZFZFRKBCR-UHFFFAOYSA-N
XLogP4.87
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.87
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-oxo-4-phenylchromen-7-yl)oxypropanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (CID 3841811) is N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide is COc1ccc(NC(=O)C(C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The InChIKey is MNZJUZFZFRKBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-16(25(28)26-18-8-10-19(29-2)11-9-18)30-20-12-13-21-22(17-6-4-3-5-7-17)15-24(27)31-23(21)14-20/h3-16H,1-2H3,(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
N-(4-methoxyphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide has a molecular weight of 415.45 g/mol, XLogP of 4.87, 6 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-oxo-4-phenylchromen-7-yl)oxypropanamide is sourced from PubChem (CID 3841811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).