N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide

C8H15ClN2O3 — CID 108513721

IUPACN-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCN(CCO)C(=O)C(=O)NCCCCl
InChIInChI=1S/C8H15ClN2O3/c1-11(5-6-12)8(14)7(13)10-4-2-3-9/h12H,2-6H2,1H3,(H,10,13)
InChIKeyKNHOGSPGIROTLX-UHFFFAOYSA-N
MW222.67 g/mol
LogP-0.82
Rot. Bonds5

About N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide

N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide (PubChem CID 108513721) has the molecular formula C8H15ClN2O3 and a molecular weight of 222.67 g/mol. Its IUPAC name is N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
PubChem CID108513721
Molecular FormulaC8H15ClN2O3
Molecular Weight222.67 g/mol
Exact Mass222.08
IUPAC NameN-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCN(CCO)C(=O)C(=O)NCCCCl
InChIInChI=1S/C8H15ClN2O3/c1-11(5-6-12)8(14)7(13)10-4-2-3-9/h12H,2-6H2,1H3,(H,10,13)
InChIKeyKNHOGSPGIROTLX-UHFFFAOYSA-N
XLogP-0.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide
CID 108513733
N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide
CID 107197511
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
2-hydrazinyl-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide
CID 60961852
N'-acetyl-N'-(2-aminoethyl)-N-(3-chloropropyl)oxamide
CID 108513777
N'-(3-chloropropyl)-N-pentyloxamide
CID 108513677
N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108524636
N-cyclohexyl-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108504394
N'-butyl-N-(2-methoxyethyl)-N'-methyloxamide
CID 108505015
N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526209
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
N',N'-dibutyl-N-(2-hydroxyethyl)oxamide
CID 108524538

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The IUPAC name of N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide (CID 108513721) is N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide.
What is the SMILES notation for N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The canonical SMILES for N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide is CN(CCO)C(=O)C(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The InChIKey is KNHOGSPGIROTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O3/c1-11(5-6-12)8(14)7(13)10-4-2-3-9/h12H,2-6H2,1H3,(H,10,13).
What are the key properties of N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide has a molecular weight of 222.67 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide is sourced from PubChem (CID 108513721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).