N-[4-(diethylamino)phenyl]oxane-4-carboxamide

C16H24N2O2 — CID 51188941

IUPACN-[4-(diethylamino)phenyl]oxane-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-18(4-2)15-7-5-14(6-8-15)17-16(19)13-9-11-20-12-10-13/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyIMKIYQPMODBFRH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.90
Rot. Bonds5

About N-[4-(diethylamino)phenyl]oxane-4-carboxamide

N-[4-(diethylamino)phenyl]oxane-4-carboxamide (PubChem CID 51188941) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]oxane-4-carboxamide
PubChem CID51188941
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-(diethylamino)phenyl]oxane-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-18(4-2)15-7-5-14(6-8-15)17-16(19)13-9-11-20-12-10-13/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyIMKIYQPMODBFRH-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)phenyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide
CID 113000138
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145889
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133406
N-[4-(propylsulfamoyl)phenyl]oxane-4-carboxamide
CID 134062227
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]oxane-4-carboxamide (CID 51188941) is N-[4-(diethylamino)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]oxane-4-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]oxane-4-carboxamide?
The InChIKey is IMKIYQPMODBFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18(4-2)15-7-5-14(6-8-15)17-16(19)13-9-11-20-12-10-13/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(diethylamino)phenyl]oxane-4-carboxamide?
N-[4-(diethylamino)phenyl]oxane-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 51188941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).