N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide

C26H23NO5 — CID 4838288

IUPACN-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESCC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C26H23NO5/c1-17(26(30)27-16-23(28)19-10-6-3-7-11-19)31-20-12-13-21-22(18-8-4-2-5-9-18)15-25(29)32-24(21)14-20/h2-15,17,23,28H,16H2,1H3,(H,27,30)
InChIKeySZMPKPFIHMELAR-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.08
Rot. Bonds7

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

N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (PubChem CID 4838288) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
PubChem CID4838288
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESCC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C26H23NO5/c1-17(26(30)27-16-23(28)19-10-6-3-7-11-19)31-20-12-13-21-22(18-8-4-2-5-9-18)15-25(29)32-24(21)14-20/h2-15,17,23,28H,16H2,1H3,(H,27,30)
InChIKeySZMPKPFIHMELAR-UHFFFAOYSA-N
XLogP4.08
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
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-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (CID 4838288) is N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide is CC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The InChIKey is SZMPKPFIHMELAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-17(26(30)27-16-23(28)19-10-6-3-7-11-19)31-20-12-13-21-22(18-8-4-2-5-9-18)15-25(29)32-24(21)14-20/h2-15,17,23,28H,16H2,1H3,(H,27,30).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide has a molecular weight of 429.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide is sourced from PubChem (CID 4838288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).