4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide

C21H22ClNO3 — CID 100781339

IUPAC4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C21H22ClNO3/c1-2-13-26-19-9-7-18(8-10-19)23-20(24)21(11-14-25-15-12-21)16-3-5-17(22)6-4-16/h2-10H,1,11-15H2,(H,23,24)
InChIKeyNKNOSOLJITYEBZ-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.59
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide

4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide (PubChem CID 100781339) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
PubChem CID100781339
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C21H22ClNO3/c1-2-13-26-19-9-7-18(8-10-19)23-20(24)21(11-14-25-15-12-21)16-3-5-17(22)6-4-16/h2-10H,1,11-15H2,(H,23,24)
InChIKeyNKNOSOLJITYEBZ-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100782348
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
CID 100781422
4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide
CID 100685329
1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782418
4-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]oxane-4-carboxamide
CID 100781359
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
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide (CID 100781339) is 4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide is C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide?
The InChIKey is NKNOSOLJITYEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-2-13-26-19-9-7-18(8-10-19)23-20(24)21(11-14-25-15-12-21)16-3-5-17(22)6-4-16/h2-10H,1,11-15H2,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide?
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide has a molecular weight of 371.86 g/mol, XLogP of 4.59, 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-prop-2-enoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100781339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).