N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide

C22H22N4O2 — CID 75443505

IUPACN'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide
SMILESCCc1ccc(CN(C)C(=O)C(=O)Nc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C22H22N4O2/c1-3-16-9-11-17(12-10-16)15-26(2)22(28)21(27)25-19-13-23-20(24-14-19)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyUYYVTDIWGADJTM-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.30
Rot. Bonds5

About N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide

N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide (PubChem CID 75443505) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide.

Molecular Properties

Compound NameN'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide
PubChem CID75443505
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide
SMILESCCc1ccc(CN(C)C(=O)C(=O)Nc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C22H22N4O2/c1-3-16-9-11-17(12-10-16)15-26(2)22(28)21(27)25-19-13-23-20(24-14-19)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyUYYVTDIWGADJTM-UHFFFAOYSA-N
XLogP3.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108518797
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
2-methylsulfanyl-N-(2-phenylpyrimidin-5-yl)acetamide
CID 47128547
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide
CID 108518877
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
CID 134799082
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide?
The IUPAC name of N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide (CID 75443505) is N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide.
What is the SMILES notation for N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide?
The canonical SMILES for N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide is CCc1ccc(CN(C)C(=O)C(=O)Nc2cnc(-c3ccccc3)nc2)cc1.
What is the InChIKey of N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide?
The InChIKey is UYYVTDIWGADJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-16-9-11-17(12-10-16)15-26(2)22(28)21(27)25-19-13-23-20(24-14-19)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide?
N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide has a molecular weight of 374.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethylphenyl)methyl]-N'-methyl-N-(2-phenylpyrimidin-5-yl)oxamide is sourced from PubChem (CID 75443505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).