N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide

C19H22N2O3 — CID 44995797

IUPACN-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-14-7-9-15(10-8-14)13-21-19(23)18(22)20-12-11-16-5-3-4-6-17(16)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySMBYJFJHNHOEAF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide

N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide (PubChem CID 44995797) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
PubChem CID44995797
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-14-7-9-15(10-8-14)13-21-19(23)18(22)20-12-11-16-5-3-4-6-17(16)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySMBYJFJHNHOEAF-UHFFFAOYSA-N
XLogP1.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.98
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-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019924
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-amino-N-[2-(2-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666713

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide (CID 44995797) is N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide is COc1ccccc1CCNC(=O)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
The InChIKey is SMBYJFJHNHOEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-7-9-15(10-8-14)13-21-19(23)18(22)20-12-11-16-5-3-4-6-17(16)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide has a molecular weight of 326.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 44995797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).