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

C19H23N3O3 — CID 71894836

IUPACN'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C19H23N3O3/c1-13-11-15(22(2)3)7-10-17(13)21-19(24)18(23)20-12-14-5-8-16(25-4)9-6-14/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyXXZHKIHIYQLSHF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.32
Rot. Bonds5

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

N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 71894836) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID71894836
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C19H23N3O3/c1-13-11-15(22(2)3)7-10-17(13)21-19(24)18(23)20-12-14-5-8-16(25-4)9-6-14/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyXXZHKIHIYQLSHF-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
N'-(2-amino-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 108508266
N'-(4-ethoxy-2-methylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]oxamide
CID 86827111
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide
CID 86827079
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2274078
N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963048
N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520359
N'-(2-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2273905
N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
CID 47308010

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide (CID 71894836) is N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2C)cc1.
What is the InChIKey of N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is XXZHKIHIYQLSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-11-15(22(2)3)7-10-17(13)21-19(24)18(23)20-12-14-5-8-16(25-4)9-6-14/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide?
N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 341.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 71894836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).