N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide

C21H18N2O4 — CID 44999403

IUPACN'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H18N2O4/c1-26-19-9-5-6-16(14-19)23-21(25)20(24)22-15-10-12-18(13-11-15)27-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyXXJMMUNPVQQWOG-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.06
Rot. Bonds5

About N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide

N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide (PubChem CID 44999403) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
PubChem CID44999403
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H18N2O4/c1-26-19-9-5-6-16(14-19)23-21(25)20(24)22-15-10-12-18(13-11-15)27-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyXXJMMUNPVQQWOG-UHFFFAOYSA-N
XLogP4.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
N-(3-methoxyphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987248
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
CID 44999634
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
CID 139434076

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide (CID 44999403) is N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide?
The InChIKey is XXJMMUNPVQQWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-19-9-5-6-16(14-19)23-21(25)20(24)22-15-10-12-18(13-11-15)27-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide?
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide has a molecular weight of 362.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 44999403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).