(2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide

C26H26N2O2 — CID 7693230

IUPAC(2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@]1(c2ccc(C(C)C)cc2)CC(=O)N1c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-18(2)20-13-15-21(16-14-20)26(25(30)27-23-12-8-7-9-19(23)3)17-24(29)28(26)22-10-5-4-6-11-22/h4-16,18H,17H2,1-3H3,(H,27,30)/t26-/m1/s1
InChIKeyJRRDNAMKHBAVPL-AREMUKBSSA-N
MW398.51 g/mol
LogP5.39
Rot. Bonds5

About (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide

(2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide (PubChem CID 7693230) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide
PubChem CID7693230
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide
SMILESCc1ccccc1NC(=O)[C@]1(c2ccc(C(C)C)cc2)CC(=O)N1c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-18(2)20-13-15-21(16-14-20)26(25(30)27-23-12-8-7-9-19(23)3)17-24(29)28(26)22-10-5-4-6-11-22/h4-16,18H,17H2,1-3H3,(H,27,30)/t26-/m1/s1
InChIKeyJRRDNAMKHBAVPL-AREMUKBSSA-N
XLogP5.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3582201
N,1-bis(2-fluorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 3756747
N,1-bis(2-fluorophenyl)-2-(4-fluorophenyl)-4-oxoazetidine-2-carboxamide
CID 3803037
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 78509718
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 163074482
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3809536
1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975398

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide (CID 7693230) is (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide is Cc1ccccc1NC(=O)[C@]1(c2ccc(C(C)C)cc2)CC(=O)N1c1ccccc1.
What is the InChIKey of (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The InChIKey is JRRDNAMKHBAVPL-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-18(2)20-13-15-21(16-14-20)26(25(30)27-23-12-8-7-9-19(23)3)17-24(29)28(26)22-10-5-4-6-11-22/h4-16,18H,17H2,1-3H3,(H,27,30)/t26-/m1/s1.
What are the key properties of (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide?
(2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylphenyl)-4-oxo-1-phenyl-2-(4-propan-2-ylphenyl)azetidine-2-carboxamide is sourced from PubChem (CID 7693230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).