N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide

C11H19ClN2O2 — CID 108503671

IUPACN-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCN(C(=O)C(=O)NCCCl)C1CCCCC1
InChIInChI=1S/C11H19ClN2O2/c1-14(9-5-3-2-4-6-9)11(16)10(15)13-8-7-12/h9H,2-8H2,1H3,(H,13,15)
InChIKeyGAFZAXZTTFJFMN-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.13
Rot. Bonds3

About N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide

N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide (PubChem CID 108503671) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide
PubChem CID108503671
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC NameN-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCN(C(=O)C(=O)NCCCl)C1CCCCC1
InChIInChI=1S/C11H19ClN2O2/c1-14(9-5-3-2-4-6-9)11(16)10(15)13-8-7-12/h9H,2-8H2,1H3,(H,13,15)
InChIKeyGAFZAXZTTFJFMN-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-cyclohexyl-N-(3-ethoxypropyl)-N'-methyloxamide
CID 108503625
3-(2-chloroethyl)-1-cyclopropyl-1-methylurea
CID 131224317
N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide
CID 43316466
2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide
CID 43614380
N-cyclohexyl-N-methyl-2-oxopropanamide
CID 115175558
N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide
CID 43316269
3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide
CID 43146223
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503660
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60962542
N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide
CID 82740649

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide?
The IUPAC name of N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide (CID 108503671) is N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide.
What is the SMILES notation for N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide?
The canonical SMILES for N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide is CN(C(=O)C(=O)NCCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide?
The InChIKey is GAFZAXZTTFJFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-14(9-5-3-2-4-6-9)11(16)10(15)13-8-7-12/h9H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide?
N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide has a molecular weight of 246.74 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide is sourced from PubChem (CID 108503671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).