N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide

C22H24N2O5 — CID 2933581

IUPACN-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)C3CCCO3)cc2)cc1)C1CCCO1
InChIInChI=1S/C22H24N2O5/c25-21(19-3-1-13-27-19)23-15-5-9-17(10-6-15)29-18-11-7-16(8-12-18)24-22(26)20-4-2-14-28-20/h5-12,19-20H,1-4,13-14H2,(H,23,25)(H,24,26)
InChIKeyGFRNOUHEVXFSKL-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.71
Rot. Bonds6

About N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide

N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide (PubChem CID 2933581) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide
PubChem CID2933581
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)C3CCCO3)cc2)cc1)C1CCCO1
InChIInChI=1S/C22H24N2O5/c25-21(19-3-1-13-27-19)23-15-5-9-17(10-6-15)29-18-11-7-16(8-12-18)24-22(26)20-4-2-14-28-20/h5-12,19-20H,1-4,13-14H2,(H,23,25)(H,24,26)
InChIKeyGFRNOUHEVXFSKL-UHFFFAOYSA-N
XLogP3.71
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Diamfenetide
CID 37384
Phenoxyacetanilide
CID 264248
N-(2,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2933135
N-(3-methoxyphenyl)-2-phenoxyacetamide
CID 819750
N-(4-phenoxyphenyl)tetrahydro-2-furancarboxamide
CID 2862126
N1-(4-{2-[4-(acetylamino)phenoxy]ethoxy}phenyl)acetamide
CID 1809594
(4S)-4-amino-5-hydroxy-N-(4-phenoxyphenyl)pentanamide
CID 24901636
N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2970691
N-(2-fluorophenyl)-2-phenoxyacetamide
CID 795771
N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 2932836
[2-(4-Ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4675064
2-phenoxy-N-[2-(pyrrolidin-1-yl)phenyl]butanamide
CID 24817934

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide (CID 2933581) is N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(Oc2ccc(NC(=O)C3CCCO3)cc2)cc1)C1CCCO1.
What is the InChIKey of N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide?
The InChIKey is GFRNOUHEVXFSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c25-21(19-3-1-13-27-19)23-15-5-9-17(10-6-15)29-18-11-7-16(8-12-18)24-22(26)20-4-2-14-28-20/h5-12,19-20H,1-4,13-14H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide?
N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(oxolane-2-carbonylamino)phenoxy]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2933581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).