4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide

C22H27NO4 — CID 100686962

IUPAC4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1
InChIInChI=1S/C22H27NO4/c1-3-14-27-20-10-6-18(7-11-20)23-21(24)22(12-15-26-16-13-22)17-4-8-19(25-2)9-5-17/h4-11H,3,12-16H2,1-2H3,(H,23,24)
InChIKeyHAZOOBDUSQAALT-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.17
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide

4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide (PubChem CID 100686962) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
PubChem CID100686962
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1
InChIInChI=1S/C22H27NO4/c1-3-14-27-20-10-6-18(7-11-20)23-21(24)22(12-15-26-16-13-22)17-4-8-19(25-2)9-5-17/h4-11H,3,12-16H2,1-2H3,(H,23,24)
InChIKeyHAZOOBDUSQAALT-UHFFFAOYSA-N
XLogP4.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
1-(4-propoxyphenyl)-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 23732565
N-(4-butoxy-2-cyanophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750267
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100773165

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide (CID 100686962) is 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide?
The InChIKey is HAZOOBDUSQAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-14-27-20-10-6-18(7-11-20)23-21(24)22(12-15-26-16-13-22)17-4-8-19(25-2)9-5-17/h4-11H,3,12-16H2,1-2H3,(H,23,24).
What are the key properties of 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100686962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).