N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide

C18H21N3O3 — CID 2248970

IUPACN'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)15-10-8-14(9-11-15)20-18(23)17(22)19-12-13-24-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySGUHZUVXDMJNKC-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.89
Rot. Bonds6

About N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide

N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide (PubChem CID 2248970) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide
PubChem CID2248970
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)15-10-8-14(9-11-15)20-18(23)17(22)19-12-13-24-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySGUHZUVXDMJNKC-UHFFFAOYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.89
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide?
The IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide (CID 2248970) is N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide.
What is the SMILES notation for N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide?
The canonical SMILES for N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide is CN(C)c1ccc(NC(=O)C(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide?
The InChIKey is SGUHZUVXDMJNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(2)15-10-8-14(9-11-15)20-18(23)17(22)19-12-13-24-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide?
N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide has a molecular weight of 327.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)phenyl]-N-(2-phenoxyethyl)oxamide is sourced from PubChem (CID 2248970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).