N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

C8H15ClN2O3 — CID 108514050

IUPACN-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NCCCl
InChIInChI=1S/C8H15ClN2O3/c1-8(2,5-12)11-7(14)6(13)10-4-3-9/h12H,3-5H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyZPKUUZFPPMNOOI-UHFFFAOYSA-N
MW222.67 g/mol
LogP-0.77
Rot. Bonds4

About N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (PubChem CID 108514050) has the molecular formula C8H15ClN2O3 and a molecular weight of 222.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
PubChem CID108514050
Molecular FormulaC8H15ClN2O3
Molecular Weight222.67 g/mol
Exact Mass222.08
IUPAC NameN-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NCCCl
InChIInChI=1S/C8H15ClN2O3/c1-8(2,5-12)11-7(14)6(13)10-4-3-9/h12H,3-5H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyZPKUUZFPPMNOOI-UHFFFAOYSA-N
XLogP-0.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390420
N'-(1-hydroxy-2-methylpropan-2-yl)-N-methyloxamide
CID 45000015
N1-tert-butyl-N2-(2-hydroxyethyl)oxalamide
CID 45000111
N-[1-(2-aminoethylamino)-1-hydroxy-2-methylpropan-2-yl]-2-chloroacetamide
CID 91502571
2-formamido-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 127519436
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylacetamide
CID 43389820
N-tert-butyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 43392817
N-ethyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 43392819
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propylacetamide
CID 43392822
N,N-diethyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 43394537
N-(cyanomethyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 43499805
N-ethyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methylacetamide
CID 43499826

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The IUPAC name of N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (CID 108514050) is N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.
What is the SMILES notation for N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The canonical SMILES for N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is CC(C)(CO)NC(=O)C(=O)NCCCl.
What is the InChIKey of N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The InChIKey is ZPKUUZFPPMNOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O3/c1-8(2,5-12)11-7(14)6(13)10-4-3-9/h12H,3-5H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide has a molecular weight of 222.67 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is sourced from PubChem (CID 108514050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).