N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide

C22H20N2O3 — CID 108984808

IUPACN-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C22H20N2O3/c1-16-8-7-9-17(14-16)15-23-21(25)22(26)24-19-12-5-6-13-20(19)27-18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyITIGOBZANHKIKJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.04
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide

N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide (PubChem CID 108984808) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide
PubChem CID108984808
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C22H20N2O3/c1-16-8-7-9-17(14-16)15-23-21(25)22(26)24-19-12-5-6-13-20(19)27-18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyITIGOBZANHKIKJ-UHFFFAOYSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylphenyl)methyl]-N'-(4-phenoxyphenyl)oxamide
CID 108984794
N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline
CID 20555519
N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984763
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
CID 17489902
N-(3-methoxyphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987248
N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108984747
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide (CID 108984808) is N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide is Cc1cccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide?
The InChIKey is ITIGOBZANHKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-8-7-9-17(14-16)15-23-21(25)22(26)24-19-12-5-6-13-20(19)27-18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide?
N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide has a molecular weight of 360.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide is sourced from PubChem (CID 108984808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).