(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide

C26H24N2O3 — CID 163074482

IUPAC(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
SMILESCOc1ccc(N2C(=O)C[C@@]2(C=Cc2ccccc2)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C26H24N2O3/c1-19-8-6-7-11-23(19)27-25(30)26(17-16-20-9-4-3-5-10-20)18-24(29)28(26)21-12-14-22(31-2)15-13-21/h3-17H,18H2,1-2H3,(H,27,30)/t26-/m0/s1
InChIKeyCNNFNPMISGSZCB-SANMLTNESA-N
MW412.49 g/mol
LogP4.83
Rot. Bonds6

About (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide

(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide (PubChem CID 163074482) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
PubChem CID163074482
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
SMILESCOc1ccc(N2C(=O)C[C@@]2(C=Cc2ccccc2)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C26H24N2O3/c1-19-8-6-7-11-23(19)27-25(30)26(17-16-20-9-4-3-5-10-20)18-24(29)28(26)21-12-14-22(31-2)15-13-21/h3-17H,18H2,1-2H3,(H,27,30)/t26-/m0/s1
InChIKeyCNNFNPMISGSZCB-SANMLTNESA-N
XLogP4.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468011
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
(2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 7693230
N,1-bis(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 3535232
N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3837519
(3S)-1-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767576
1-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4562034
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide
CID 8713953
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(3R)-1-(4-methoxyphenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40822829

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide (CID 163074482) is (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide is COc1ccc(N2C(=O)C[C@@]2(C=Cc2ccccc2)C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide?
The InChIKey is CNNFNPMISGSZCB-SANMLTNESA-N. The full InChI is InChI=1S/C26H24N2O3/c1-19-8-6-7-11-23(19)27-25(30)26(17-16-20-9-4-3-5-10-20)18-24(29)28(26)21-12-14-22(31-2)15-13-21/h3-17H,18H2,1-2H3,(H,27,30)/t26-/m0/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide?
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide is sourced from PubChem (CID 163074482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).