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

C21H42ClNO — CID 533087

IUPAC2-chloro-N,N-di(nonyl)propanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)C(C)Cl
InChIInChI=1S/C21H42ClNO/c1-4-6-8-10-12-14-16-18-23(21(24)20(3)22)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3
InChIKeyCAYVAIPTSFKUIT-UHFFFAOYSA-N
MW360.03 g/mol
LogP6.94
Rot. Bonds17

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

2-chloro-N,N-di(nonyl)propanamide (PubChem CID 533087) has the molecular formula C21H42ClNO and a molecular weight of 360.03 g/mol. Its IUPAC name is 2-chloro-N,N-di(nonyl)propanamide.

Molecular Properties

Compound Name2-chloro-N,N-di(nonyl)propanamide
PubChem CID533087
Molecular FormulaC21H42ClNO
Molecular Weight360.03 g/mol
Exact Mass359.30
IUPAC Name2-chloro-N,N-di(nonyl)propanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)C(C)Cl
InChIInChI=1S/C21H42ClNO/c1-4-6-8-10-12-14-16-18-23(21(24)20(3)22)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3
InChIKeyCAYVAIPTSFKUIT-UHFFFAOYSA-N
XLogP6.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.03
LogP ≤ 56.94
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(nonyl)propanamide?
The IUPAC name of 2-chloro-N,N-di(nonyl)propanamide (CID 533087) is 2-chloro-N,N-di(nonyl)propanamide.
What is the SMILES notation for 2-chloro-N,N-di(nonyl)propanamide?
The canonical SMILES for 2-chloro-N,N-di(nonyl)propanamide is CCCCCCCCCN(CCCCCCCCC)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N,N-di(nonyl)propanamide?
The InChIKey is CAYVAIPTSFKUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42ClNO/c1-4-6-8-10-12-14-16-18-23(21(24)20(3)22)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3.
What are the key properties of 2-chloro-N,N-di(nonyl)propanamide?
2-chloro-N,N-di(nonyl)propanamide has a molecular weight of 360.03 g/mol, XLogP of 6.94, 17 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(nonyl)propanamide is sourced from PubChem (CID 533087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).