3-chloro-N,N-diheptylpropanamide

C17H34ClNO — CID 533195

IUPAC3-chloro-N,N-diheptylpropanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)CCCl
InChIInChI=1S/C17H34ClNO/c1-3-5-7-9-11-15-19(17(20)13-14-18)16-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyHMZMBEDMMYANJV-UHFFFAOYSA-N
MW303.92 g/mol
LogP5.38
Rot. Bonds14

About 3-chloro-N,N-diheptylpropanamide

3-chloro-N,N-diheptylpropanamide (PubChem CID 533195) has the molecular formula C17H34ClNO and a molecular weight of 303.92 g/mol. Its IUPAC name is 3-chloro-N,N-diheptylpropanamide.

Molecular Properties

Compound Name3-chloro-N,N-diheptylpropanamide
PubChem CID533195
Molecular FormulaC17H34ClNO
Molecular Weight303.92 g/mol
Exact Mass303.23
IUPAC Name3-chloro-N,N-diheptylpropanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)CCCl
InChIInChI=1S/C17H34ClNO/c1-3-5-7-9-11-15-19(17(20)13-14-18)16-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyHMZMBEDMMYANJV-UHFFFAOYSA-N
XLogP5.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.92
LogP ≤ 55.38
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 3-chloro-N,N-diheptylpropanamide?
The IUPAC name of 3-chloro-N,N-diheptylpropanamide (CID 533195) is 3-chloro-N,N-diheptylpropanamide.
What is the SMILES notation for 3-chloro-N,N-diheptylpropanamide?
The canonical SMILES for 3-chloro-N,N-diheptylpropanamide is CCCCCCCN(CCCCCCC)C(=O)CCCl.
What is the InChIKey of 3-chloro-N,N-diheptylpropanamide?
The InChIKey is HMZMBEDMMYANJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34ClNO/c1-3-5-7-9-11-15-19(17(20)13-14-18)16-12-10-8-6-4-2/h3-16H2,1-2H3.
What are the key properties of 3-chloro-N,N-diheptylpropanamide?
3-chloro-N,N-diheptylpropanamide has a molecular weight of 303.92 g/mol, XLogP of 5.38, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diheptylpropanamide is sourced from PubChem (CID 533195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).