tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate

C15H20Cl2N2O4 — CID 2727120

IUPACtert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)ONC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O4/c1-14(2,3)22-12(20)15(4,5)23-19-13(21)18-11-7-9(16)6-10(17)8-11/h6-8H,1-5H3,(H2,18,19,21)
InChIKeyINUDVGVRLFKTTO-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.17
Rot. Bonds4

About tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate

tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate (PubChem CID 2727120) has the molecular formula C15H20Cl2N2O4 and a molecular weight of 363.24 g/mol. Its IUPAC name is tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate
PubChem CID2727120
Molecular FormulaC15H20Cl2N2O4
Molecular Weight363.24 g/mol
Exact Mass362.08
IUPAC Nametert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)ONC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O4/c1-14(2,3)22-12(20)15(4,5)23-19-13(21)18-11-7-9(16)6-10(17)8-11/h6-8H,1-5H3,(H2,18,19,21)
InChIKeyINUDVGVRLFKTTO-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(2,4-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate
CID 2727142
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
N-[(3,5-dichlorophenyl)carbamoyl]sulfamoyl chloride
CID 151962445
tert-butyl N-[3-chloro-5-(chloromethyl)phenyl]carbamate
CID 117236621
tert-butyl 4-[(3,5-dichlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate
CID 2815818
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
CID 547585

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate (CID 2727120) is tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)ONC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate?
The InChIKey is INUDVGVRLFKTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4/c1-14(2,3)22-12(20)15(4,5)23-19-13(21)18-11-7-9(16)6-10(17)8-11/h6-8H,1-5H3,(H2,18,19,21).
What are the key properties of tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate?
tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate has a molecular weight of 363.24 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3,5-dichlorophenyl)carbamoylamino]oxy-2-methylpropanoate is sourced from PubChem (CID 2727120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).