(4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide

C21H19N3O4 — CID 12971983

IUPAC(4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NO)[C@H]1CN(Cc2ccc(Oc3cccc4ccccc34)cc2)C(=O)N1
InChIInChI=1S/C21H19N3O4/c25-20(23-27)18-13-24(21(26)22-18)12-14-8-10-16(11-9-14)28-19-7-3-5-15-4-1-2-6-17(15)19/h1-11,18,27H,12-13H2,(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyJFRAGUOIAHJTOM-GOSISDBHSA-N
MW377.40 g/mol
LogP3.03
Rot. Bonds5

About (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide

(4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 12971983) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID12971983
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name(4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NO)[C@H]1CN(Cc2ccc(Oc3cccc4ccccc34)cc2)C(=O)N1
InChIInChI=1S/C21H19N3O4/c25-20(23-27)18-13-24(21(26)22-18)12-14-8-10-16(11-9-14)28-19-7-3-5-15-4-1-2-6-17(15)19/h1-11,18,27H,12-13H2,(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyJFRAGUOIAHJTOM-GOSISDBHSA-N
XLogP3.03
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 12971983) is (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C(NO)[C@H]1CN(Cc2ccc(Oc3cccc4ccccc34)cc2)C(=O)N1.
What is the InChIKey of (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is JFRAGUOIAHJTOM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-20(23-27)18-13-24(21(26)22-18)12-14-8-10-16(11-9-14)28-19-7-3-5-15-4-1-2-6-17(15)19/h1-11,18,27H,12-13H2,(H,22,26)(H,23,25)/t18-/m1/s1.
What are the key properties of (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-hydroxy-1-[(4-naphthalen-1-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 12971983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).