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

C22H27ClN2O2 — CID 60582492

IUPAC4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-3-25(4-2)20-11-9-19(10-12-20)24-21(26)22(13-15-27-16-14-22)17-5-7-18(23)8-6-17/h5-12H,3-4,13-16H2,1-2H3,(H,24,26)
InChIKeyBLTUIKALPYFHRT-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.87
Rot. Bonds6

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

4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide (PubChem CID 60582492) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide
PubChem CID60582492
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-3-25(4-2)20-11-9-19(10-12-20)24-21(26)22(13-15-27-16-14-22)17-5-7-18(23)8-6-17/h5-12H,3-4,13-16H2,1-2H3,(H,24,26)
InChIKeyBLTUIKALPYFHRT-UHFFFAOYSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide
CID 100685329
4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide
CID 100685928
4-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]oxane-4-carboxamide
CID 100781359
4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide
CID 71937459
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
4-(4-chlorophenyl)-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 100784348
4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
CID 100685863

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide (CID 60582492) is 4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide is CCN(CC)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide?
The InChIKey is BLTUIKALPYFHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-3-25(4-2)20-11-9-19(10-12-20)24-21(26)22(13-15-27-16-14-22)17-5-7-18(23)8-6-17/h5-12H,3-4,13-16H2,1-2H3,(H,24,26).
What are the key properties of 4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide?
4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide has a molecular weight of 386.92 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 60582492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).