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

C24H26N4O5 — CID 10253223

IUPACN-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
SMILESCCN1C(=O)N(CC(COc2ccc(-c3ccc(C#N)cc3)cc2)N(O)C=O)C(=O)C1(C)C
InChIInChI=1S/C24H26N4O5/c1-4-27-23(31)26(22(30)24(27,2)3)14-20(28(32)16-29)15-33-21-11-9-19(10-12-21)18-7-5-17(13-25)6-8-18/h5-12,16,20,32H,4,14-15H2,1-3H3
InChIKeyXJIQVSMHQQCBEO-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.88
Rot. Bonds9

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

N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide (PubChem CID 10253223) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
PubChem CID10253223
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
SMILESCCN1C(=O)N(CC(COc2ccc(-c3ccc(C#N)cc3)cc2)N(O)C=O)C(=O)C1(C)C
InChIInChI=1S/C24H26N4O5/c1-4-27-23(31)26(22(30)24(27,2)3)14-20(28(32)16-29)15-33-21-11-9-19(10-12-21)18-7-5-17(13-25)6-8-18/h5-12,16,20,32H,4,14-15H2,1-3H3
InChIKeyXJIQVSMHQQCBEO-UHFFFAOYSA-N
XLogP2.88
TPSA114.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
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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Related Compounds

N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
CID 10137341
4-[4-[2-hydroxy-3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propoxy]phenyl]benzonitrile
CID 70126090
N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide
CID 101116405
N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
CID 11048709
N-[2-[4-(4-cyanophenyl)phenoxy]-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-N-hydroxyformamide
CID 101116404
1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21236411
3-(3-benzyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-[4-(4-cyanophenyl)phenoxy]-N-hydroxybutanamide
CID 139899998
4-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 18086907
4-[3-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 55410147
4-[4-(1-oxodecan-2-yloxy)phenyl]benzonitrile
CID 89196141
4-[3-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-2-hydroxypropoxy]benzonitrile
CID 18086925
4-[(2R)-3-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]-2-hydroxypropoxy]benzonitrile
CID 31574507

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide (CID 10253223) is N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-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-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide is CCN1C(=O)N(CC(COc2ccc(-c3ccc(C#N)cc3)cc2)N(O)C=O)C(=O)C1(C)C.
What is the InChIKey of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
The InChIKey is XJIQVSMHQQCBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-4-27-23(31)26(22(30)24(27,2)3)14-20(28(32)16-29)15-33-21-11-9-19(10-12-21)18-7-5-17(13-25)6-8-18/h5-12,16,20,32H,4,14-15H2,1-3H3.
What are the key properties of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide has a molecular weight of 450.50 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 10253223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).