2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide

C25H21NO5 — CID 39503721

IUPAC2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C25H21NO5/c27-24(17-30-22-12-10-20-11-13-25(28)31-23(20)14-22)26-15-18-6-8-19(9-7-18)16-29-21-4-2-1-3-5-21/h1-14H,15-17H2,(H,26,27)
InChIKeyBNDHXGGXNJCHDL-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.07
Rot. Bonds8

About 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide

2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide (PubChem CID 39503721) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
PubChem CID39503721
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C25H21NO5/c27-24(17-30-22-12-10-20-11-13-25(28)31-23(20)14-22)26-15-18-6-8-19(9-7-18)16-29-21-4-2-1-3-5-21/h1-14H,15-17H2,(H,26,27)
InChIKeyBNDHXGGXNJCHDL-UHFFFAOYSA-N
XLogP4.07
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
CID 46401405
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 26117124
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 36752372
4-[(2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 2089139

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide (CID 39503721) is 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide is O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The InChIKey is BNDHXGGXNJCHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c27-24(17-30-22-12-10-20-11-13-25(28)31-23(20)14-22)26-15-18-6-8-19(9-7-18)16-29-21-4-2-1-3-5-21/h1-14H,15-17H2,(H,26,27).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 39503721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).