N-dodecyl-N-methylcarbamoyl chloride

C14H28ClNO — CID 14857255

IUPACN-dodecyl-N-methylcarbamoyl chloride
SMILESCCCCCCCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14(15)17/h3-13H2,1-2H3
InChIKeyYHWJMRPQEQWJLK-UHFFFAOYSA-N
MW261.84 g/mol
LogP5.20
Rot. Bonds11

About N-dodecyl-N-methylcarbamoyl chloride

N-dodecyl-N-methylcarbamoyl chloride (PubChem CID 14857255) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N-dodecyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-dodecyl-N-methylcarbamoyl chloride
PubChem CID14857255
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN-dodecyl-N-methylcarbamoyl chloride
SMILESCCCCCCCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14(15)17/h3-13H2,1-2H3
InChIKeyYHWJMRPQEQWJLK-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.84
LogP ≤ 55.20
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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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-methylcarbamoyl chloride?
The IUPAC name of N-dodecyl-N-methylcarbamoyl chloride (CID 14857255) is N-dodecyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-dodecyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-dodecyl-N-methylcarbamoyl chloride is CCCCCCCCCCCCN(C)C(=O)Cl.
What is the InChIKey of N-dodecyl-N-methylcarbamoyl chloride?
The InChIKey is YHWJMRPQEQWJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14(15)17/h3-13H2,1-2H3.
What are the key properties of N-dodecyl-N-methylcarbamoyl chloride?
N-dodecyl-N-methylcarbamoyl chloride has a molecular weight of 261.84 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 14857255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).