N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide

C22H28N2O3 — CID 108987294

IUPACN'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H28N2O3/c1-13(2)16-8-7-9-17(14(3)4)20(16)24-22(26)21(25)23-18-12-15(5)10-11-19(18)27-6/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyNSOJIQISFUIOID-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.83
Rot. Bonds5

About N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide

N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 108987294) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide
PubChem CID108987294
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H28N2O3/c1-13(2)16-8-7-9-17(14(3)4)20(16)24-22(26)21(25)23-18-12-15(5)10-11-19(18)27-6/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyNSOJIQISFUIOID-UHFFFAOYSA-N
XLogP4.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.83
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'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955809
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268180
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108858108
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
N-(2-methoxy-5-methylphenyl)-5-(2-methyl-6-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292218
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515607
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108515639
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide (CID 108987294) is N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is NSOJIQISFUIOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-13(2)16-8-7-9-17(14(3)4)20(16)24-22(26)21(25)23-18-12-15(5)10-11-19(18)27-6/h7-14H,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide?
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 368.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108987294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).