[di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate

C16H22Cl2N2O5 — CID 88519708

IUPAC[di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NOCC(=O)ON(C(C)C)C(C)C
InChIInChI=1S/C16H22Cl2N2O5/c1-9(2)20(10(3)4)25-13(21)8-24-19-16(22)14-11(17)6-7-12(18)15(14)23-5/h6-7,9-10H,8H2,1-5H3,(H,19,22)
InChIKeyRCXCZWFHUNFONR-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.24
Rot. Bonds8

About [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate

[di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate (PubChem CID 88519708) has the molecular formula C16H22Cl2N2O5 and a molecular weight of 393.27 g/mol. Its IUPAC name is [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate.

Molecular Properties

Compound Name[di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate
PubChem CID88519708
Molecular FormulaC16H22Cl2N2O5
Molecular Weight393.27 g/mol
Exact Mass392.09
IUPAC Name[di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NOCC(=O)ON(C(C)C)C(C)C
InChIInChI=1S/C16H22Cl2N2O5/c1-9(2)20(10(3)4)25-13(21)8-24-19-16(22)14-11(17)6-7-12(18)15(14)23-5/h6-7,9-10H,8H2,1-5H3,(H,19,22)
InChIKeyRCXCZWFHUNFONR-UHFFFAOYSA-N
XLogP3.24
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
CID 14097342
3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 110287800
3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
CID 2788458
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid
CID 88619765
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide
CID 108574925
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 112502933
3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347569
N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108574475
2-(2-aminoethylamino)ethanol;3,6-dichloro-2-methoxybenzoic acid
CID 51030995

Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate?
The IUPAC name of [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate (CID 88519708) is [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate.
What is the SMILES notation for [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate?
The canonical SMILES for [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate is COc1c(Cl)ccc(Cl)c1C(=O)NOCC(=O)ON(C(C)C)C(C)C.
What is the InChIKey of [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate?
The InChIKey is RCXCZWFHUNFONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O5/c1-9(2)20(10(3)4)25-13(21)8-24-19-16(22)14-11(17)6-7-12(18)15(14)23-5/h6-7,9-10H,8H2,1-5H3,(H,19,22).
What are the key properties of [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate?
[di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate has a molecular weight of 393.27 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate is sourced from PubChem (CID 88519708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).