2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide

C24H29NO2 — CID 133224868

IUPAC2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
SMILESCCc1ccc(CC(=O)NC2CC3(CCCCC3)Oc3ccccc32)cc1
InChIInChI=1S/C24H29NO2/c1-2-18-10-12-19(13-11-18)16-23(26)25-21-17-24(14-6-3-7-15-24)27-22-9-5-4-8-20(21)22/h4-5,8-13,21H,2-3,6-7,14-17H2,1H3,(H,25,26)
InChIKeyLIRLANQAEZCVGH-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.13
Rot. Bonds4

About 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide

2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide (PubChem CID 133224868) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
PubChem CID133224868
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
SMILESCCc1ccc(CC(=O)NC2CC3(CCCCC3)Oc3ccccc32)cc1
InChIInChI=1S/C24H29NO2/c1-2-18-10-12-19(13-11-18)16-23(26)25-21-17-24(14-6-3-7-15-24)27-22-9-5-4-8-20(21)22/h4-5,8-13,21H,2-3,6-7,14-17H2,1H3,(H,25,26)
InChIKeyLIRLANQAEZCVGH-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133162770
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
CID 125064612
3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133225052
2-(4-methyl-1,4-diazepan-1-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 125155552
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
CID 125060093
2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpentanamide;hydrochloride
CID 119815681

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
The IUPAC name of 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide (CID 133224868) is 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide is CCc1ccc(CC(=O)NC2CC3(CCCCC3)Oc3ccccc32)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
The InChIKey is LIRLANQAEZCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-2-18-10-12-19(13-11-18)16-23(26)25-21-17-24(14-6-3-7-15-24)27-22-9-5-4-8-20(21)22/h4-5,8-13,21H,2-3,6-7,14-17H2,1H3,(H,25,26).
What are the key properties of 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide has a molecular weight of 363.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide is sourced from PubChem (CID 133224868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).