N-methyl-N-octylcarbamoyl chloride

C10H20ClNO — CID 15209944

IUPACN-methyl-N-octylcarbamoyl chloride
SMILESCCCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C10H20ClNO/c1-3-4-5-6-7-8-9-12(2)10(11)13/h3-9H2,1-2H3
InChIKeyNWPXDJUDEBRRNQ-UHFFFAOYSA-N
MW205.73 g/mol
LogP3.64
Rot. Bonds7

About N-methyl-N-octylcarbamoyl chloride

N-methyl-N-octylcarbamoyl chloride (PubChem CID 15209944) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-methyl-N-octylcarbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-octylcarbamoyl chloride
PubChem CID15209944
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-methyl-N-octylcarbamoyl chloride
SMILESCCCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C10H20ClNO/c1-3-4-5-6-7-8-9-12(2)10(11)13/h3-9H2,1-2H3
InChIKeyNWPXDJUDEBRRNQ-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 53.64
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
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
N-dodecyl-N-methylcarbamoyl chloride
CID 14857255

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octylcarbamoyl chloride?
The IUPAC name of N-methyl-N-octylcarbamoyl chloride (CID 15209944) is N-methyl-N-octylcarbamoyl chloride.
What is the SMILES notation for N-methyl-N-octylcarbamoyl chloride?
The canonical SMILES for N-methyl-N-octylcarbamoyl chloride is CCCCCCCCN(C)C(=O)Cl.
What is the InChIKey of N-methyl-N-octylcarbamoyl chloride?
The InChIKey is NWPXDJUDEBRRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-4-5-6-7-8-9-12(2)10(11)13/h3-9H2,1-2H3.
What are the key properties of N-methyl-N-octylcarbamoyl chloride?
N-methyl-N-octylcarbamoyl chloride has a molecular weight of 205.73 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octylcarbamoyl chloride is sourced from PubChem (CID 15209944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).