N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide

C24H27NO5 — CID 22427224

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2ccc3c(c2)C(=O)CC2(CCCCC2)O3)cc1
InChIInChI=1S/C24H27NO5/c1-28-18-7-5-17(6-8-18)15-25-23(27)16-29-19-9-10-22-20(13-19)21(26)14-24(30-22)11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,25,27)
InChIKeyGELJOLDECYGCPY-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.06
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide

N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide (PubChem CID 22427224) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
PubChem CID22427224
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2ccc3c(c2)C(=O)CC2(CCCCC2)O3)cc1
InChIInChI=1S/C24H27NO5/c1-28-18-7-5-17(6-8-18)15-25-23(27)16-29-19-9-10-22-20(13-19)21(26)14-24(30-22)11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,25,27)
InChIKeyGELJOLDECYGCPY-UHFFFAOYSA-N
XLogP4.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide with MolForge

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Related Compounds

N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
CID 22427225
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 22427222
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 91264802
1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758828
6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746498
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-(4-methoxyphenyl)-2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide
CID 16674264
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide (CID 22427224) is N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide is COc1ccc(CNC(=O)COc2ccc3c(c2)C(=O)CC2(CCCCC2)O3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide?
The InChIKey is GELJOLDECYGCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-28-18-7-5-17(6-8-18)15-25-23(27)16-29-19-9-10-22-20(13-19)21(26)14-24(30-22)11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,25,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide?
N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide has a molecular weight of 409.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide is sourced from PubChem (CID 22427224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).