N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide

C22H22N4O5 — CID 10342176

IUPACN-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
SMILESCC1(C)NC(=O)N(CC(COc2ccc(-c3ccc(C#N)cc3)cc2)N(O)C=O)C1=O
InChIInChI=1S/C22H22N4O5/c1-22(2)20(28)25(21(29)24-22)12-18(26(30)14-27)13-31-19-9-7-17(8-10-19)16-5-3-15(11-23)4-6-16/h3-10,14,18,30H,12-13H2,1-2H3,(H,24,29)
InChIKeyUZBOAJFAUCURIC-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.15
Rot. Bonds8

About N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide

N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide (PubChem CID 10342176) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
PubChem CID10342176
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC NameN-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
SMILESCC1(C)NC(=O)N(CC(COc2ccc(-c3ccc(C#N)cc3)cc2)N(O)C=O)C1=O
InChIInChI=1S/C22H22N4O5/c1-22(2)20(28)25(21(29)24-22)12-18(26(30)14-27)13-31-19-9-7-17(8-10-19)16-5-3-15(11-23)4-6-16/h3-10,14,18,30H,12-13H2,1-2H3,(H,24,29)
InChIKeyUZBOAJFAUCURIC-UHFFFAOYSA-N
XLogP2.15
TPSA122.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide (CID 10342176) is N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide is CC1(C)NC(=O)N(CC(COc2ccc(-c3ccc(C#N)cc3)cc2)N(O)C=O)C1=O.
What is the InChIKey of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
The InChIKey is UZBOAJFAUCURIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-22(2)20(28)25(21(29)24-22)12-18(26(30)14-27)13-31-19-9-7-17(8-10-19)16-5-3-15(11-23)4-6-16/h3-10,14,18,30H,12-13H2,1-2H3,(H,24,29).
What are the key properties of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide has a molecular weight of 422.44 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 10342176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).