[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate

C22H24N2O5 — CID 108927767

IUPAC[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccc(NC(=O)CC3CCOCC3)cc2)c1
InChIInChI=1S/C22H24N2O5/c1-15(25)29-20-4-2-3-17(14-20)22(27)24-19-7-5-18(6-8-19)23-21(26)13-16-9-11-28-12-10-16/h2-8,14,16H,9-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyUDBIFHGEVRCYFF-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.62
Rot. Bonds6

About [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate

[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927767) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927767
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccc(NC(=O)CC3CCOCC3)cc2)c1
InChIInChI=1S/C22H24N2O5/c1-15(25)29-20-4-2-3-17(14-20)22(27)24-19-7-5-18(6-8-19)23-21(26)13-16-9-11-28-12-10-16/h2-8,14,16H,9-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyUDBIFHGEVRCYFF-UHFFFAOYSA-N
XLogP3.62
TPSA93.73 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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate with MolForge

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Related Compounds

[3-[[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929308
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
[3-[[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927723
[3-[[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927597
[3-[[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927714
[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927655
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927861
[3-[[4-[(2,2-dimethylpropanoylamino)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928421
[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927899
[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927732

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate (CID 108927767) is [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2ccc(NC(=O)CC3CCOCC3)cc2)c1.
What is the InChIKey of [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is UDBIFHGEVRCYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15(25)29-20-4-2-3-17(14-20)22(27)24-19-7-5-18(6-8-19)23-21(26)13-16-9-11-28-12-10-16/h2-8,14,16H,9-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 396.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).