2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride

C11H19ClN2O2 — CID 170985652

IUPAC2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride
SMILESCN(C)C(=O)NC1CCC(CC(=O)Cl)CC1
InChIInChI=1S/C11H19ClN2O2/c1-14(2)11(16)13-9-5-3-8(4-6-9)7-10(12)15/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyJSMWMXNQXWRWGG-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.97
Rot. Bonds3

About 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride

2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride (PubChem CID 170985652) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride
PubChem CID170985652
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride
SMILESCN(C)C(=O)NC1CCC(CC(=O)Cl)CC1
InChIInChI=1S/C11H19ClN2O2/c1-14(2)11(16)13-9-5-3-8(4-6-9)7-10(12)15/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyJSMWMXNQXWRWGG-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
CID 127484817
2-(4-chlorocyclohexyl)acetyl chloride
CID 19428388
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956
4-(2-chloro-2-oxoethyl)cyclohexane-1-carbonyl chloride
CID 170407759
N-cyclopropyl-2-[(3-cyclopropyl-2-oxopropyl)-methylamino]acetamide
CID 58444119
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 121218221
3-(3-methoxycyclobutyl)-1,1-dimethylurea
CID 104581744
2-[cyclopropylcarbamoyl(methyl)amino]acetamide
CID 115583065
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
1,1-dimethyl-3-(2-methylcyclopropyl)urea
CID 115608993

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride (CID 170985652) is 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride is CN(C)C(=O)NC1CCC(CC(=O)Cl)CC1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride?
The InChIKey is JSMWMXNQXWRWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-14(2)11(16)13-9-5-3-8(4-6-9)7-10(12)15/h8-9H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride?
2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride has a molecular weight of 246.74 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride is sourced from PubChem (CID 170985652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).