(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide

C27H32N2O2 — CID 1468011

IUPAC(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
SMILESCC(C)c1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H32N2O2/c1-20(2)22-13-15-24(16-14-22)29-25(30)19-27(29,18-17-21-9-5-3-6-10-21)26(31)28-23-11-7-4-8-12-23/h3,5-6,9-10,13-18,20,23H,4,7-8,11-12,19H2,1-2H3,(H,28,31)/b18-17+/t27-/m1/s1
InChIKeyJUQUYSGBDNWPFT-YJUNHESCSA-N
MW416.57 g/mol
LogP5.45
Rot. Bonds6

About (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide

(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide (PubChem CID 1468011) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
PubChem CID1468011
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
SMILESCC(C)c1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H32N2O2/c1-20(2)22-13-15-24(16-14-22)29-25(30)19-27(29,18-17-21-9-5-3-6-10-21)26(31)28-23-11-7-4-8-12-23/h3,5-6,9-10,13-18,20,23H,4,7-8,11-12,19H2,1-2H3,(H,28,31)/b18-17+/t27-/m1/s1
InChIKeyJUQUYSGBDNWPFT-YJUNHESCSA-N
XLogP5.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468017
N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide
CID 3221439
N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 3153762
(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 1469478
N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 3219563
(2S)-1-benzyl-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
CID 7709089
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 3771667
(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
N-cyclohexyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)propanamide
CID 122176139

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide (CID 1468011) is (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide is CC(C)c1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The InChIKey is JUQUYSGBDNWPFT-YJUNHESCSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-20(2)22-13-15-24(16-14-22)29-25(30)19-27(29,18-17-21-9-5-3-6-10-21)26(31)28-23-11-7-4-8-12-23/h3,5-6,9-10,13-18,20,23H,4,7-8,11-12,19H2,1-2H3,(H,28,31)/b18-17+/t27-/m1/s1.
What are the key properties of (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide is sourced from PubChem (CID 1468011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).