2-chloro-N,N-di(undecyl)propanamide

C25H50ClNO — CID 533089

IUPAC2-chloro-N,N-di(undecyl)propanamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)C(C)Cl
InChIInChI=1S/C25H50ClNO/c1-4-6-8-10-12-14-16-18-20-22-27(25(28)24(3)26)23-21-19-17-15-13-11-9-7-5-2/h24H,4-23H2,1-3H3
InChIKeyUSMDOBCIJVLEJB-UHFFFAOYSA-N
MW416.13 g/mol
LogP8.50
Rot. Bonds21

About 2-chloro-N,N-di(undecyl)propanamide

2-chloro-N,N-di(undecyl)propanamide (PubChem CID 533089) has the molecular formula C25H50ClNO and a molecular weight of 416.13 g/mol. Its IUPAC name is 2-chloro-N,N-di(undecyl)propanamide.

Molecular Properties

Compound Name2-chloro-N,N-di(undecyl)propanamide
PubChem CID533089
Molecular FormulaC25H50ClNO
Molecular Weight416.13 g/mol
Exact Mass415.36
IUPAC Name2-chloro-N,N-di(undecyl)propanamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)C(C)Cl
InChIInChI=1S/C25H50ClNO/c1-4-6-8-10-12-14-16-18-20-22-27(25(28)24(3)26)23-21-19-17-15-13-11-9-7-5-2/h24H,4-23H2,1-3H3
InChIKeyUSMDOBCIJVLEJB-UHFFFAOYSA-N
XLogP8.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.13
LogP ≤ 58.50
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-di(undecyl)propanamide?
The IUPAC name of 2-chloro-N,N-di(undecyl)propanamide (CID 533089) is 2-chloro-N,N-di(undecyl)propanamide.
What is the SMILES notation for 2-chloro-N,N-di(undecyl)propanamide?
The canonical SMILES for 2-chloro-N,N-di(undecyl)propanamide is CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N,N-di(undecyl)propanamide?
The InChIKey is USMDOBCIJVLEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50ClNO/c1-4-6-8-10-12-14-16-18-20-22-27(25(28)24(3)26)23-21-19-17-15-13-11-9-7-5-2/h24H,4-23H2,1-3H3.
What are the key properties of 2-chloro-N,N-di(undecyl)propanamide?
2-chloro-N,N-di(undecyl)propanamide has a molecular weight of 416.13 g/mol, XLogP of 8.50, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-di(undecyl)propanamide is sourced from PubChem (CID 533089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).