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

C22H25N3O6 — CID 10137341

IUPACN-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
SMILESCOc1ccc(-c2ccc(OC[C@H](CN3C(=O)NC(C)(C)C3=O)N(O)C=O)cc2)cc1
InChIInChI=1S/C22H25N3O6/c1-22(2)20(27)24(21(28)23-22)12-17(25(29)14-26)13-31-19-10-6-16(7-11-19)15-4-8-18(30-3)9-5-15/h4-11,14,17,29H,12-13H2,1-3H3,(H,23,28)/t17-/m0/s1
InChIKeyOSSMSHMXGNMGGX-KRWDZBQOSA-N
MW427.46 g/mol
LogP2.29
Rot. Bonds9

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

N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide (PubChem CID 10137341) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
PubChem CID10137341
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC NameN-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
SMILESCOc1ccc(-c2ccc(OC[C@H](CN3C(=O)NC(C)(C)C3=O)N(O)C=O)cc2)cc1
InChIInChI=1S/C22H25N3O6/c1-22(2)20(27)24(21(28)23-22)12-17(25(29)14-26)13-31-19-10-6-16(7-11-19)15-4-8-18(30-3)9-5-15/h4-11,14,17,29H,12-13H2,1-3H3,(H,23,28)/t17-/m0/s1
InChIKeyOSSMSHMXGNMGGX-KRWDZBQOSA-N
XLogP2.29
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.29
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-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide (CID 10137341) is N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide is COc1ccc(-c2ccc(OC[C@H](CN3C(=O)NC(C)(C)C3=O)N(O)C=O)cc2)cc1.
What is the InChIKey of N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide?
The InChIKey is OSSMSHMXGNMGGX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-22(2)20(27)24(21(28)23-22)12-17(25(29)14-26)13-31-19-10-6-16(7-11-19)15-4-8-18(30-3)9-5-15/h4-11,14,17,29H,12-13H2,1-3H3,(H,23,28)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide?
N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide has a molecular weight of 427.46 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 10137341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).