2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide

C26H23NO4 — CID 7996357

IUPAC2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C26H23NO4/c1-18(19-8-4-2-5-9-19)16-27-25(28)17-30-21-12-13-22-23(20-10-6-3-7-11-20)15-26(29)31-24(22)14-21/h2-15,18H,16-17H2,1H3,(H,27,28)/t18-/m0/s1
InChIKeyVYFMPZRGCJOGCB-SFHVURJKSA-N
MW413.47 g/mol
LogP4.76
Rot. Bonds7

About 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide

2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 7996357) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID7996357
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C26H23NO4/c1-18(19-8-4-2-5-9-19)16-27-25(28)17-30-21-12-13-22-23(20-10-6-3-7-11-20)15-26(29)31-24(22)14-21/h2-15,18H,16-17H2,1H3,(H,27,28)/t18-/m0/s1
InChIKeyVYFMPZRGCJOGCB-SFHVURJKSA-N
XLogP4.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7996359
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 8951439
N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 8636135
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
(2S)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 1194304
4-[[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 3337153
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2185509
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide (CID 7996357) is 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide is C[C@@H](CNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1.
What is the InChIKey of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is VYFMPZRGCJOGCB-SFHVURJKSA-N. The full InChI is InChI=1S/C26H23NO4/c1-18(19-8-4-2-5-9-19)16-27-25(28)17-30-21-12-13-22-23(20-10-6-3-7-11-20)15-26(29)31-24(22)14-21/h2-15,18H,16-17H2,1H3,(H,27,28)/t18-/m0/s1.
What are the key properties of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide?
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 413.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7996357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).