N-methyl-N-octadecylcarbamoyl chloride

C20H40ClNO — CID 13007485

IUPACN-methyl-N-octadecylcarbamoyl chloride
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C20H40ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20(21)23/h3-19H2,1-2H3
InChIKeyVPFGOGVJAIADKW-UHFFFAOYSA-N
MW346.00 g/mol
LogP7.54
Rot. Bonds17

About N-methyl-N-octadecylcarbamoyl chloride

N-methyl-N-octadecylcarbamoyl chloride (PubChem CID 13007485) has the molecular formula C20H40ClNO and a molecular weight of 346.00 g/mol. Its IUPAC name is N-methyl-N-octadecylcarbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-octadecylcarbamoyl chloride
PubChem CID13007485
Molecular FormulaC20H40ClNO
Molecular Weight346.00 g/mol
Exact Mass345.28
IUPAC NameN-methyl-N-octadecylcarbamoyl chloride
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C20H40ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20(21)23/h3-19H2,1-2H3
InChIKeyVPFGOGVJAIADKW-UHFFFAOYSA-N
XLogP7.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.00
LogP ≤ 57.54
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
Formamide, N,N-dioctyl-
CID 221420
Methyl(octyl)carbamic chloride
CID 15209944
N-Methyl-N-octadecylformamide
CID 16114795
N-heptyl-N-methylcarbamoyl chloride
CID 21736985
N-formyl-N-methylhexadecylamine
CID 53980763
N,N-didodecylformamide
CID 614602
N-dodecyl-N-propylformamide
CID 54379720
N-[10-[carbonochloridoyl(methyl)amino]decyl]-N-methylcarbamoyl chloride
CID 134990628
N-ethyl-N-tetradecylformamide
CID 10038737
N-methyl-N-tetradecylformamide
CID 10422507

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octadecylcarbamoyl chloride?
The IUPAC name of N-methyl-N-octadecylcarbamoyl chloride (CID 13007485) is N-methyl-N-octadecylcarbamoyl chloride.
What is the SMILES notation for N-methyl-N-octadecylcarbamoyl chloride?
The canonical SMILES for N-methyl-N-octadecylcarbamoyl chloride is CCCCCCCCCCCCCCCCCCN(C)C(=O)Cl.
What is the InChIKey of N-methyl-N-octadecylcarbamoyl chloride?
The InChIKey is VPFGOGVJAIADKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20(21)23/h3-19H2,1-2H3.
What are the key properties of N-methyl-N-octadecylcarbamoyl chloride?
N-methyl-N-octadecylcarbamoyl chloride has a molecular weight of 346.00 g/mol, XLogP of 7.54, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octadecylcarbamoyl chloride is sourced from PubChem (CID 13007485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).