(E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide

C22H23NO2 — CID 143840043

IUPAC(E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CC3(CCC3)Oc3ccccc32)cc1
InChIInChI=1S/C22H23NO2/c1-16-7-9-17(10-8-16)11-12-21(24)23-19-15-22(13-4-14-22)25-20-6-3-2-5-18(19)20/h2-3,5-12,19H,4,13-15H2,1H3,(H,23,24)/b12-11+
InChIKeyUESROUPGDPUDMK-VAWYXSNFSA-N
MW333.43 g/mol
LogP4.57
Rot. Bonds3

About (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide

(E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide (PubChem CID 143840043) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide
PubChem CID143840043
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CC3(CCC3)Oc3ccccc32)cc1
InChIInChI=1S/C22H23NO2/c1-16-7-9-17(10-8-16)11-12-21(24)23-19-15-22(13-4-14-22)25-20-6-3-2-5-18(19)20/h2-3,5-12,19H,4,13-15H2,1H3,(H,23,24)/b12-11+
InChIKeyUESROUPGDPUDMK-VAWYXSNFSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminopyrimidin-5-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylprop-2-enamide
CID 171140030
(E)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 132653130
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
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
(E)-3-(4-chlorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)prop-2-enamide
CID 132653752
(E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide
CID 99996714
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
(E)-3-(4-nitrophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)prop-2-enamide
CID 132654779
(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide
CID 114550368
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide (CID 143840043) is (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide is Cc1ccc(/C=C/C(=O)NC2CC3(CCC3)Oc3ccccc32)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide?
The InChIKey is UESROUPGDPUDMK-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16-7-9-17(10-8-16)11-12-21(24)23-19-15-22(13-4-14-22)25-20-6-3-2-5-18(19)20/h2-3,5-12,19H,4,13-15H2,1H3,(H,23,24)/b12-11+.
What are the key properties of (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide?
(E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide has a molecular weight of 333.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylprop-2-enamide is sourced from PubChem (CID 143840043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).