1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one

C23H25NO4 — CID 164691259

IUPAC1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one
SMILESCOc1cccc(CC(=O)N2CCCC3(CC2)CC(=O)c2ccccc2O3)c1
InChIInChI=1S/C23H25NO4/c1-27-18-7-4-6-17(14-18)15-22(26)24-12-5-10-23(11-13-24)16-20(25)19-8-2-3-9-21(19)28-23/h2-4,6-9,14H,5,10-13,15-16H2,1H3
InChIKeyHAWOCGLGYRUVKX-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.65
Rot. Bonds3

About 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one

1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one (PubChem CID 164691259) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one.

Molecular Properties

Compound Name1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one
PubChem CID164691259
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one
SMILESCOc1cccc(CC(=O)N2CCCC3(CC2)CC(=O)c2ccccc2O3)c1
InChIInChI=1S/C23H25NO4/c1-27-18-7-4-6-17(14-18)15-22(26)24-12-5-10-23(11-13-24)16-20(25)19-8-2-3-9-21(19)28-23/h2-4,6-9,14H,5,10-13,15-16H2,1H3
InChIKeyHAWOCGLGYRUVKX-UHFFFAOYSA-N
XLogP3.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[2-(4-bromophenyl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735714
8-[2-(3-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668843
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
formic acid;1'-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 166598569
[2-oxo-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)ethyl]urea
CID 164695148
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164690880
1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164695858
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
1'-(2-phenylacetyl)spiro[6,7,8,9-tetrahydro-3H-benzo[g]chromene-2,4'-piperidine]-4-one
CID 100760986
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585903

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one?
The IUPAC name of 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one (CID 164691259) is 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one.
What is the SMILES notation for 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one?
The canonical SMILES for 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one is COc1cccc(CC(=O)N2CCCC3(CC2)CC(=O)c2ccccc2O3)c1.
What is the InChIKey of 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one?
The InChIKey is HAWOCGLGYRUVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-27-18-7-4-6-17(14-18)15-22(26)24-12-5-10-23(11-13-24)16-20(25)19-8-2-3-9-21(19)28-23/h2-4,6-9,14H,5,10-13,15-16H2,1H3.
What are the key properties of 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one?
1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one has a molecular weight of 379.46 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one is sourced from PubChem (CID 164691259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).