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

C20H27NO4 — CID 22427225

IUPACN-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
SMILESCCCCNC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2
InChIInChI=1S/C20H27NO4/c1-2-3-11-21-19(23)14-24-15-7-8-18-16(12-15)17(22)13-20(25-18)9-5-4-6-10-20/h7-8,12H,2-6,9-11,13-14H2,1H3,(H,21,23)
InChIKeyYVYNBEYSVYKOFL-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.65
Rot. Bonds6

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

N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide (PubChem CID 22427225) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide.

Molecular Properties

Compound NameN-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
PubChem CID22427225
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC NameN-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
SMILESCCCCNC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2
InChIInChI=1S/C20H27NO4/c1-2-3-11-21-19(23)14-24-15-7-8-18-16(12-15)17(22)13-20(25-18)9-5-4-6-10-20/h7-8,12H,2-6,9-11,13-14H2,1H3,(H,21,23)
InChIKeyYVYNBEYSVYKOFL-UHFFFAOYSA-N
XLogP3.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
CID 22427224
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 22427222
2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 6619196
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide
CID 42580970
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
butyl 6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108734524
6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 91264802
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908
5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid
CID 82165953
N-butyl-2-[(1-hydroxy-1,3-dioxo-1λ5,2-benziodoxol-5-yl)oxy]acetamide
CID 134973391
butyl 6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735122

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide?
The IUPAC name of N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide (CID 22427225) is N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide.
What is the SMILES notation for N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide?
The canonical SMILES for N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide is CCCCNC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2.
What is the InChIKey of N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide?
The InChIKey is YVYNBEYSVYKOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-2-3-11-21-19(23)14-24-15-7-8-18-16(12-15)17(22)13-20(25-18)9-5-4-6-10-20/h7-8,12H,2-6,9-11,13-14H2,1H3,(H,21,23).
What are the key properties of N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide?
N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide has a molecular weight of 345.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide is sourced from PubChem (CID 22427225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).