N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide

C27H32N2O3 — CID 3219563

IUPACN-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
SMILESCCc1ccc(N2C(=O)CC2(C=Cc2ccccc2OC)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H32N2O3/c1-3-20-13-15-23(16-14-20)29-25(30)19-27(29,26(31)28-22-10-5-4-6-11-22)18-17-21-9-7-8-12-24(21)32-2/h7-9,12-18,22H,3-6,10-11,19H2,1-2H3,(H,28,31)
InChIKeyLHSKLRBUDSBRML-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.90
Rot. Bonds7

About N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide

N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide (PubChem CID 3219563) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
PubChem CID3219563
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC NameN-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
SMILESCCc1ccc(N2C(=O)CC2(C=Cc2ccccc2OC)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H32N2O3/c1-3-20-13-15-23(16-14-20)29-25(30)19-27(29,26(31)28-22-10-5-4-6-11-22)18-17-21-9-7-8-12-24(21)32-2/h7-9,12-18,22H,3-6,10-11,19H2,1-2H3,(H,28,31)
InChIKeyLHSKLRBUDSBRML-UHFFFAOYSA-N
XLogP4.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 1469478
(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468017
(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
N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 3153762
(2S)-1-benzyl-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
CID 7709089
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427
N-cycloheptyl-1-(4-ethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
CID 46275632
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 104957085
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296
ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542203

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide (CID 3219563) is N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide is CCc1ccc(N2C(=O)CC2(C=Cc2ccccc2OC)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide?
The InChIKey is LHSKLRBUDSBRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-3-20-13-15-23(16-14-20)29-25(30)19-27(29,26(31)28-22-10-5-4-6-11-22)18-17-21-9-7-8-12-24(21)32-2/h7-9,12-18,22H,3-6,10-11,19H2,1-2H3,(H,28,31).
What are the key properties of N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide?
N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide has a molecular weight of 432.56 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 3219563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).