N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide

C19H22N2O2 — CID 97313554

IUPACN-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N(C)[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-10-11-14(2)17(12-13)20-18(22)19(23)21(4)15(3)16-8-6-5-7-9-16/h5-12,15H,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyMEFZMQLIJJLOAB-OAHLLOKOSA-N
MW310.40 g/mol
LogP3.46
Rot. Bonds3

About N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide

N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide (PubChem CID 97313554) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide
PubChem CID97313554
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N(C)[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-10-11-14(2)17(12-13)20-18(22)19(23)21(4)15(3)16-8-6-5-7-9-16/h5-12,15H,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyMEFZMQLIJJLOAB-OAHLLOKOSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514348
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248578
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953156
N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
CID 47334597
N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962157
(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-methylpentanoate
CID 7847973
3-(2,5-dimethylphenyl)-1-methyl-1-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 9215572
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide (CID 97313554) is N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide is Cc1ccc(C)c(NC(=O)C(=O)N(C)[C@H](C)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide?
The InChIKey is MEFZMQLIJJLOAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-10-11-14(2)17(12-13)20-18(22)19(23)21(4)15(3)16-8-6-5-7-9-16/h5-12,15H,1-4H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide?
N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide has a molecular weight of 310.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-methyl-N'-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 97313554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).