N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide

C27H28N2O7 — CID 3733169

IUPACN,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cc(OC)ccc3OC)CC(=O)N2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C27H28N2O7/c1-32-18-8-6-17(7-9-18)27(26(31)28-21-14-19(33-2)10-12-23(21)35-4)16-25(30)29(27)22-15-20(34-3)11-13-24(22)36-5/h6-15H,16H2,1-5H3,(H,28,31)
InChIKeyUFQHPURDSGGPNG-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.00
Rot. Bonds9

About N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide

N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide (PubChem CID 3733169) has the molecular formula C27H28N2O7 and a molecular weight of 492.53 g/mol. Its IUPAC name is N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide
PubChem CID3733169
Molecular FormulaC27H28N2O7
Molecular Weight492.53 g/mol
Exact Mass492.19
IUPAC NameN,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cc(OC)ccc3OC)CC(=O)N2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C27H28N2O7/c1-32-18-8-6-17(7-9-18)27(26(31)28-21-14-19(33-2)10-12-23(21)35-4)16-25(30)29(27)22-15-20(34-3)11-13-24(22)36-5/h6-15H,16H2,1-5H3,(H,28,31)
InChIKeyUFQHPURDSGGPNG-UHFFFAOYSA-N
XLogP4.00
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 3759360
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
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 164633014
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide?
The IUPAC name of N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide (CID 3733169) is N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide is COc1ccc(C2(C(=O)Nc3cc(OC)ccc3OC)CC(=O)N2c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide?
The InChIKey is UFQHPURDSGGPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O7/c1-32-18-8-6-17(7-9-18)27(26(31)28-21-14-19(33-2)10-12-23(21)35-4)16-25(30)29(27)22-15-20(34-3)11-13-24(22)36-5/h6-15H,16H2,1-5H3,(H,28,31).
What are the key properties of N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide?
N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 3733169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).