N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide

C19H22N2O2 — CID 108984715

IUPACN'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-15-7-5-10-17(13-15)14-21-19(23)18(22)20-12-6-11-16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)(H,21,23)
InChIKeyHECSSXSGNMLGIK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.36
Rot. Bonds6

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

N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide (PubChem CID 108984715) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
PubChem CID108984715
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-15-7-5-10-17(13-15)14-21-19(23)18(22)20-12-6-11-16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)(H,21,23)
InChIKeyHECSSXSGNMLGIK-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 2174276
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108986075
N-[3-(3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516624
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984905

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide (CID 108984715) is N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide is Cc1cccc(CNC(=O)C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide?
The InChIKey is HECSSXSGNMLGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-7-5-10-17(13-15)14-21-19(23)18(22)20-12-6-11-16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide?
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide has a molecular weight of 310.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 108984715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).