N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide

C26H26N2O6 — CID 3759360

IUPACN,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(c3ccccc3)CC(=O)N2c2cc(OC)ccc2OC)c1
InChIInChI=1S/C26H26N2O6/c1-31-18-10-12-22(33-3)20(14-18)27-25(30)26(17-8-6-5-7-9-17)16-24(29)28(26)21-15-19(32-2)11-13-23(21)34-4/h5-15H,16H2,1-4H3,(H,27,30)
InChIKeyOOMNDLFXXLIIIS-UHFFFAOYSA-N
MW462.50 g/mol
LogP3.99
Rot. Bonds8

About N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide

N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide (PubChem CID 3759360) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
PubChem CID3759360
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC NameN,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(c3ccccc3)CC(=O)N2c2cc(OC)ccc2OC)c1
InChIInChI=1S/C26H26N2O6/c1-31-18-10-12-22(33-3)20(14-18)27-25(30)26(17-8-6-5-7-9-17)16-24(29)28(26)21-15-19(32-2)11-13-23(21)34-4/h5-15H,16H2,1-4H3,(H,27,30)
InChIKeyOOMNDLFXXLIIIS-UHFFFAOYSA-N
XLogP3.99
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide
CID 3733169
N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide
CID 3797071
N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4268630
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
N,1-bis(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 3535232
N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 3756747
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
1-N-(2,5-dimethoxyphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980986
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The IUPAC name of N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide (CID 3759360) is N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide is COc1ccc(OC)c(NC(=O)C2(c3ccccc3)CC(=O)N2c2cc(OC)ccc2OC)c1.
What is the InChIKey of N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
The InChIKey is OOMNDLFXXLIIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-31-18-10-12-22(33-3)20(14-18)27-25(30)26(17-8-6-5-7-9-17)16-24(29)28(26)21-15-19(32-2)11-13-23(21)34-4/h5-15H,16H2,1-4H3,(H,27,30).
What are the key properties of N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide?
N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide is sourced from PubChem (CID 3759360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).