N,N-didodecylcarbamoyl chloride

C25H50ClNO — CID 15644924

IUPACN,N-didodecylcarbamoyl chloride
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)Cl
InChIInChI=1S/C25H50ClNO/c1-3-5-7-9-11-13-15-17-19-21-23-27(25(26)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyDDDAIMQNOJFGJN-UHFFFAOYSA-N
MW416.13 g/mol
LogP9.49
Rot. Bonds22

About N,N-didodecylcarbamoyl chloride

N,N-didodecylcarbamoyl chloride (PubChem CID 15644924) has the molecular formula C25H50ClNO and a molecular weight of 416.13 g/mol. Its IUPAC name is N,N-didodecylcarbamoyl chloride.

Molecular Properties

Compound NameN,N-didodecylcarbamoyl chloride
PubChem CID15644924
Molecular FormulaC25H50ClNO
Molecular Weight416.13 g/mol
Exact Mass415.36
IUPAC NameN,N-didodecylcarbamoyl chloride
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)Cl
InChIInChI=1S/C25H50ClNO/c1-3-5-7-9-11-13-15-17-19-21-23-27(25(26)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyDDDAIMQNOJFGJN-UHFFFAOYSA-N
XLogP9.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.13
LogP ≤ 59.49
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,N-didodecylcarbamoyl chloride?
The IUPAC name of N,N-didodecylcarbamoyl chloride (CID 15644924) is N,N-didodecylcarbamoyl chloride.
What is the SMILES notation for N,N-didodecylcarbamoyl chloride?
The canonical SMILES for N,N-didodecylcarbamoyl chloride is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)Cl.
What is the InChIKey of N,N-didodecylcarbamoyl chloride?
The InChIKey is DDDAIMQNOJFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50ClNO/c1-3-5-7-9-11-13-15-17-19-21-23-27(25(26)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of N,N-didodecylcarbamoyl chloride?
N,N-didodecylcarbamoyl chloride has a molecular weight of 416.13 g/mol, XLogP of 9.49, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didodecylcarbamoyl chloride is sourced from PubChem (CID 15644924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).