N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride

C14H26Cl2N2O2 — CID 134990628

IUPACN-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride
SMILESCN(CCCCCCCCCCN(C)C(=O)Cl)C(=O)Cl
InChIInChI=1S/C14H26Cl2N2O2/c1-17(13(15)19)11-9-7-5-3-4-6-8-10-12-18(2)14(16)20/h3-12H2,1-2H3
InChIKeyQIYCHRIJHXRGRT-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.69
Rot. Bonds11

About N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride

N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride (PubChem CID 134990628) has the molecular formula C14H26Cl2N2O2 and a molecular weight of 325.28 g/mol. Its IUPAC name is N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride
PubChem CID134990628
Molecular FormulaC14H26Cl2N2O2
Molecular Weight325.28 g/mol
Exact Mass324.14
IUPAC NameN-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride
SMILESCN(CCCCCCCCCCN(C)C(=O)Cl)C(=O)Cl
InChIInChI=1S/C14H26Cl2N2O2/c1-17(13(15)19)11-9-7-5-3-4-6-8-10-12-18(2)14(16)20/h3-12H2,1-2H3
InChIKeyQIYCHRIJHXRGRT-UHFFFAOYSA-N
XLogP4.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Carbamic chloride, 1,6-hexanediylbis(methyl-
CID 14423477
Methyl(octyl)carbamic chloride
CID 15209944
N-heptyl-N-methylcarbamoyl chloride
CID 21736985
N-methyl-N-octadecylcarbamoyl chloride
CID 13007485
Methyl(nonyl)carbamyl chloride
CID 15209945
N-decyl-N-methylcarbamoyl chloride
CID 15209946
N,N-dioctylcarbamoyl chloride
CID 15644923
N,N-didodecylcarbamoyl chloride
CID 15644924
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
N-hexyl-N-(4-isocyanatobutyl)carbamoyl chloride
CID 53761623
N,N-didecylcarbamoyl chloride
CID 53826113
N-butyl-N-(6-isocyanatohexyl)carbamoyl chloride
CID 53875723

Frequently Asked Questions

What is the IUPAC name of N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride?
The IUPAC name of N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride (CID 134990628) is N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride.
What is the SMILES notation for N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride?
The canonical SMILES for N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride is CN(CCCCCCCCCCN(C)C(=O)Cl)C(=O)Cl.
What is the InChIKey of N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride?
The InChIKey is QIYCHRIJHXRGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Cl2N2O2/c1-17(13(15)19)11-9-7-5-3-4-6-8-10-12-18(2)14(16)20/h3-12H2,1-2H3.
What are the key properties of N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride?
N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride has a molecular weight of 325.28 g/mol, XLogP of 4.69, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 134990628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).