3-chloro-N-[2-(diethylamino)ethyl]propanamide

C9H19ClN2O — CID 16788062

IUPAC3-chloro-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCCl
InChIInChI=1S/C9H19ClN2O/c1-3-12(4-2)8-7-11-9(13)5-6-10/h3-8H2,1-2H3,(H,11,13)
InChIKeyPFSLDJQEAYWKIT-UHFFFAOYSA-N
MW206.72 g/mol
LogP1.07
Rot. Bonds7

About 3-chloro-N-[2-(diethylamino)ethyl]propanamide

3-chloro-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 16788062) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(diethylamino)ethyl]propanamide
PubChem CID16788062
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name3-chloro-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCCl
InChIInChI=1S/C9H19ClN2O/c1-3-12(4-2)8-7-11-9(13)5-6-10/h3-8H2,1-2H3,(H,11,13)
InChIKeyPFSLDJQEAYWKIT-UHFFFAOYSA-N
XLogP1.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(diethylamino)ethyl]propanamide (CID 16788062) is 3-chloro-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is PFSLDJQEAYWKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O/c1-3-12(4-2)8-7-11-9(13)5-6-10/h3-8H2,1-2H3,(H,11,13).
What are the key properties of 3-chloro-N-[2-(diethylamino)ethyl]propanamide?
3-chloro-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 206.72 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 16788062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).