N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide

C26H28N2O4 — CID 3153762

IUPACN-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
SMILESO=C1CC(C=Cc2ccccc2)(C(=O)NC2CCCCC2)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H28N2O4/c29-24-18-26(14-13-19-7-3-1-4-8-19,25(30)27-20-9-5-2-6-10-20)28(24)21-11-12-22-23(17-21)32-16-15-31-22/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16,18H2,(H,27,30)
InChIKeyMCQLUWZYZNQUJN-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.10
Rot. Bonds5

About N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide

N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide (PubChem CID 3153762) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
PubChem CID3153762
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
SMILESO=C1CC(C=Cc2ccccc2)(C(=O)NC2CCCCC2)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H28N2O4/c29-24-18-26(14-13-19-7-3-1-4-8-19,25(30)27-20-9-5-2-6-10-20)28(24)21-11-12-22-23(17-21)32-16-15-31-22/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16,18H2,(H,27,30)
InChIKeyMCQLUWZYZNQUJN-UHFFFAOYSA-N
XLogP4.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468011
N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide
CID 3221439
(2S)-1-benzyl-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
CID 7709089
N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 3219563
1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 18564547
N-cyclooctyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42996336
(3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903624
(E)-N-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 26697363
N-cycloheptyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperidine-4-carboxamide
CID 30837376
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 163074482
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide
CID 7693831

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide (CID 3153762) is N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide is O=C1CC(C=Cc2ccccc2)(C(=O)NC2CCCCC2)N1c1ccc2c(c1)OCCO2.
What is the InChIKey of N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide?
The InChIKey is MCQLUWZYZNQUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c29-24-18-26(14-13-19-7-3-1-4-8-19,25(30)27-20-9-5-2-6-10-20)28(24)21-11-12-22-23(17-21)32-16-15-31-22/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16,18H2,(H,27,30).
What are the key properties of N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide?
N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide is sourced from PubChem (CID 3153762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).