N-[(2-methylphenyl)methyl]-N'-phenyloxamide

C16H16N2O2 — CID 2174485

IUPACN-[(2-methylphenyl)methyl]-N'-phenyloxamide
SMILESCc1ccccc1CNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-12-7-5-6-8-13(12)11-17-15(19)16(20)18-14-9-3-2-4-10-14/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyUPBFNMXRGVVKNB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.25
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-N'-phenyloxamide

N-[(2-methylphenyl)methyl]-N'-phenyloxamide (PubChem CID 2174485) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N'-phenyloxamide
PubChem CID2174485
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(2-methylphenyl)methyl]-N'-phenyloxamide
SMILESCc1ccccc1CNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-12-7-5-6-8-13(12)11-17-15(19)16(20)18-14-9-3-2-4-10-14/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyUPBFNMXRGVVKNB-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174354
N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108984636
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
N'-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2223435
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
N-butyl-N'-[(2-methylphenyl)methyl]oxamide
CID 2174476
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
CID 17201961
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 86979728

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N'-phenyloxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N'-phenyloxamide (CID 2174485) is N-[(2-methylphenyl)methyl]-N'-phenyloxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N'-phenyloxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N'-phenyloxamide is Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N'-phenyloxamide?
The InChIKey is UPBFNMXRGVVKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-7-5-6-8-13(12)11-17-15(19)16(20)18-14-9-3-2-4-10-14/h2-10H,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[(2-methylphenyl)methyl]-N'-phenyloxamide?
N-[(2-methylphenyl)methyl]-N'-phenyloxamide has a molecular weight of 268.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N'-phenyloxamide is sourced from PubChem (CID 2174485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).