4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide

C22H26ClNO4 — CID 100685761

IUPAC4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
SMILESCCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C22H26ClNO4/c1-2-26-15-16-28-20-9-7-19(8-10-20)24-21(25)22(11-13-27-14-12-22)17-3-5-18(23)6-4-17/h3-10H,2,11-16H2,1H3,(H,24,25)
InChIKeyIMCSILOQDDPRNC-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.44
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide

4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide (PubChem CID 100685761) has the molecular formula C22H26ClNO4 and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
PubChem CID100685761
Molecular FormulaC22H26ClNO4
Molecular Weight403.91 g/mol
Exact Mass403.16
IUPAC Name4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
SMILESCCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C22H26ClNO4/c1-2-26-15-16-28-20-9-7-19(8-10-20)24-21(25)22(11-13-27-14-12-22)17-3-5-18(23)6-4-17/h3-10H,2,11-16H2,1H3,(H,24,25)
InChIKeyIMCSILOQDDPRNC-UHFFFAOYSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 60582492
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659626
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide
CID 100686130
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
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
4-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]oxane-4-carboxamide
CID 100781359

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide (CID 100685761) is 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide is CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide?
The InChIKey is IMCSILOQDDPRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO4/c1-2-26-15-16-28-20-9-7-19(8-10-20)24-21(25)22(11-13-27-14-12-22)17-3-5-18(23)6-4-17/h3-10H,2,11-16H2,1H3,(H,24,25).
What are the key properties of 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide?
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 100685761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).