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

C25H24N2O4 — CID 3837519

IUPACN,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-17-4-6-18(7-5-17)25(24(29)26-19-8-12-21(30-2)13-9-19)16-23(28)27(25)20-10-14-22(31-3)15-11-20/h4-15H,16H2,1-3H3,(H,26,29)
InChIKeyCLYXSTBXFOTQDC-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.28
Rot. Bonds6

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

N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide (PubChem CID 3837519) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
PubChem CID3837519
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-17-4-6-18(7-5-17)25(24(29)26-19-8-12-21(30-2)13-9-19)16-23(28)27(25)20-10-14-22(31-3)15-11-20/h4-15H,16H2,1-3H3,(H,26,29)
InChIKeyCLYXSTBXFOTQDC-UHFFFAOYSA-N
XLogP4.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[1-(4-ethoxycarbonylphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carbonyl]amino]benzoate
CID 3803032
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3809536
4-oxo-N,1,2-triphenylazetidine-2-carboxamide
CID 4564262
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3251424
N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide
CID 3733169
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873

Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The IUPAC name of N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide (CID 3837519) is N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide is COc1ccc(NC(=O)C2(c3ccc(C)cc3)CC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The InChIKey is CLYXSTBXFOTQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-4-6-18(7-5-17)25(24(29)26-19-8-12-21(30-2)13-9-19)16-23(28)27(25)20-10-14-22(31-3)15-11-20/h4-15H,16H2,1-3H3,(H,26,29).
What are the key properties of N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 3837519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).