4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide

C23H28ClNO3 — CID 100685928

IUPAC4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide
SMILESCCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C
InChIInChI=1S/C23H28ClNO3/c1-4-11-28-21-16(2)14-20(15-17(21)3)25-22(26)23(9-12-27-13-10-23)18-5-7-19(24)8-6-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,25,26)
InChIKeyWXBMDISLXRGWBI-UHFFFAOYSA-N
MW401.93 g/mol
LogP5.43
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide

4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide (PubChem CID 100685928) has the molecular formula C23H28ClNO3 and a molecular weight of 401.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide
PubChem CID100685928
Molecular FormulaC23H28ClNO3
Molecular Weight401.93 g/mol
Exact Mass401.18
IUPAC Name4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide
SMILESCCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C
InChIInChI=1S/C23H28ClNO3/c1-4-11-28-21-16(2)14-20(15-17(21)3)25-22(26)23(9-12-27-13-10-23)18-5-7-19(24)8-6-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,25,26)
InChIKeyWXBMDISLXRGWBI-UHFFFAOYSA-N
XLogP5.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.93
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butoxy-3,5-dimethylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683972
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
CID 100685863
N-(3-methyl-4-propoxyphenyl)-4-(4-nitrophenyl)oxane-4-carboxamide
CID 100680217
4-(4-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
CID 100749727
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 133188311
4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 60582492
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683990
4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772965
N-(6-butoxy-5-methyl-3-pyridinyl)-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 100773065
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide (CID 100685928) is 4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide is CCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide?
The InChIKey is WXBMDISLXRGWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO3/c1-4-11-28-21-16(2)14-20(15-17(21)3)25-22(26)23(9-12-27-13-10-23)18-5-7-19(24)8-6-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,25,26).
What are the key properties of 4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide?
4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide has a molecular weight of 401.93 g/mol, XLogP of 5.43, 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-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100685928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).