N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

C21H27N3O3 — CID 108507482

IUPACN'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)18-10-8-17(9-11-18)23-21(26)20(25)22-15-14-16-6-12-19(27-3)13-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyLASNWDYBCDVGAU-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.84
Rot. Bonds8

About N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 108507482) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID108507482
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)18-10-8-17(9-11-18)23-21(26)20(25)22-15-14-16-6-12-19(27-3)13-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyLASNWDYBCDVGAU-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.84
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

N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 30127290
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113176865
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
CID 108986567
N-(2-chloroethyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108513980
N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51048872
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 108507482) is N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is LASNWDYBCDVGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-24(5-2)18-10-8-17(9-11-18)23-21(26)20(25)22-15-14-16-6-12-19(27-3)13-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 369.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108507482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).