N-decyl-N-methylcarbamoyl chloride

C12H24ClNO — CID 15209946

IUPACN-decyl-N-methylcarbamoyl chloride
SMILESCCCCCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C12H24ClNO/c1-3-4-5-6-7-8-9-10-11-14(2)12(13)15/h3-11H2,1-2H3
InChIKeyBMGPXLLTTDBFCD-UHFFFAOYSA-N
MW233.78 g/mol
LogP4.42
Rot. Bonds9

About N-decyl-N-methylcarbamoyl chloride

N-decyl-N-methylcarbamoyl chloride (PubChem CID 15209946) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-decyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-decyl-N-methylcarbamoyl chloride
PubChem CID15209946
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-decyl-N-methylcarbamoyl chloride
SMILESCCCCCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C12H24ClNO/c1-3-4-5-6-7-8-9-10-11-14(2)12(13)15/h3-11H2,1-2H3
InChIKeyBMGPXLLTTDBFCD-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-dioctadecylcarbamoyl chloride
CID 3016265
Dihexadecylcarbamyl chloride
CID 20231454
N-dodecyl-N-methylformamide
CID 12651456
Carbamic chloride, 1,6-hexanediylbis(methyl-
CID 14423477
Methyl(pentyl)carbamyl chloride
CID 15209943
Formamide, N-methyl-N-octyl-
CID 13764009
Methyl(octyl)carbamic chloride
CID 15209944
N-heptyl-N-methylcarbamoyl chloride
CID 21736985
N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride
CID 134990628
N-methyl-N-nonylformamide
CID 226049
N-methyl-N-octadecylcarbamoyl chloride
CID 13007485
N-Decyl-N-methylformamide
CID 14151221

Frequently Asked Questions

What is the IUPAC name of N-decyl-N-methylcarbamoyl chloride?
The IUPAC name of N-decyl-N-methylcarbamoyl chloride (CID 15209946) is N-decyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-decyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-decyl-N-methylcarbamoyl chloride is CCCCCCCCCCN(C)C(=O)Cl.
What is the InChIKey of N-decyl-N-methylcarbamoyl chloride?
The InChIKey is BMGPXLLTTDBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-3-4-5-6-7-8-9-10-11-14(2)12(13)15/h3-11H2,1-2H3.
What are the key properties of N-decyl-N-methylcarbamoyl chloride?
N-decyl-N-methylcarbamoyl chloride has a molecular weight of 233.78 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 15209946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).