2-chloro-N,N-didecylpropanamide

C23H46ClNO — CID 533088

IUPAC2-chloro-N,N-didecylpropanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C(C)Cl
InChIInChI=1S/C23H46ClNO/c1-4-6-8-10-12-14-16-18-20-25(23(26)22(3)24)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3
InChIKeyRSNTYEXEJHDLHX-UHFFFAOYSA-N
MW388.08 g/mol
LogP7.72
Rot. Bonds19

About 2-chloro-N,N-didecylpropanamide

2-chloro-N,N-didecylpropanamide (PubChem CID 533088) has the molecular formula C23H46ClNO and a molecular weight of 388.08 g/mol. Its IUPAC name is 2-chloro-N,N-didecylpropanamide.

Molecular Properties

Compound Name2-chloro-N,N-didecylpropanamide
PubChem CID533088
Molecular FormulaC23H46ClNO
Molecular Weight388.08 g/mol
Exact Mass387.33
IUPAC Name2-chloro-N,N-didecylpropanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C(C)Cl
InChIInChI=1S/C23H46ClNO/c1-4-6-8-10-12-14-16-18-20-25(23(26)22(3)24)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3
InChIKeyRSNTYEXEJHDLHX-UHFFFAOYSA-N
XLogP7.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.08
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-didecylpropanamide?
The IUPAC name of 2-chloro-N,N-didecylpropanamide (CID 533088) is 2-chloro-N,N-didecylpropanamide.
What is the SMILES notation for 2-chloro-N,N-didecylpropanamide?
The canonical SMILES for 2-chloro-N,N-didecylpropanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N,N-didecylpropanamide?
The InChIKey is RSNTYEXEJHDLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46ClNO/c1-4-6-8-10-12-14-16-18-20-25(23(26)22(3)24)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3.
What are the key properties of 2-chloro-N,N-didecylpropanamide?
2-chloro-N,N-didecylpropanamide has a molecular weight of 388.08 g/mol, XLogP of 7.72, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-didecylpropanamide is sourced from PubChem (CID 533088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).