(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide

C28H34N2O3 — CID 1468017

IUPAC(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
SMILESCOc1ccccc1/C=C/[C@@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(C(C)C)cc1
InChIInChI=1S/C28H34N2O3/c1-20(2)21-13-15-24(16-14-21)30-26(31)19-28(30,27(32)29-23-10-5-4-6-11-23)18-17-22-9-7-8-12-25(22)33-3/h7-9,12-18,20,23H,4-6,10-11,19H2,1-3H3,(H,29,32)/b18-17+/t28-/m0/s1
InChIKeyQISNXPXDSCEICY-BUCZBDGVSA-N
MW446.59 g/mol
LogP5.46
Rot. Bonds7

About (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide

(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide (PubChem CID 1468017) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
PubChem CID1468017
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
SMILESCOc1ccccc1/C=C/[C@@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(C(C)C)cc1
InChIInChI=1S/C28H34N2O3/c1-20(2)21-13-15-24(16-14-21)30-26(31)19-28(30,27(32)29-23-10-5-4-6-11-23)18-17-22-9-7-8-12-25(22)33-3/h7-9,12-18,20,23H,4-6,10-11,19H2,1-3H3,(H,29,32)/b18-17+/t28-/m0/s1
InChIKeyQISNXPXDSCEICY-BUCZBDGVSA-N
XLogP5.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.46
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
N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 3219563
(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468011
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427
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
(2S)-1-benzyl-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
CID 7709089
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 163074482
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide (CID 1468017) is (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide is COc1ccccc1/C=C/[C@@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(C(C)C)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The InChIKey is QISNXPXDSCEICY-BUCZBDGVSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-20(2)21-13-15-24(16-14-21)30-26(31)19-28(30,27(32)29-23-10-5-4-6-11-23)18-17-22-9-7-8-12-25(22)33-3/h7-9,12-18,20,23H,4-6,10-11,19H2,1-3H3,(H,29,32)/b18-17+/t28-/m0/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide is sourced from PubChem (CID 1468017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).