N,N-diethyl-2-(3-fluoropropylamino)propanamide

C10H21FN2O — CID 115731800

IUPACN,N-diethyl-2-(3-fluoropropylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NCCCF
InChIInChI=1S/C10H21FN2O/c1-4-13(5-2)10(14)9(3)12-8-6-7-11/h9,12H,4-8H2,1-3H3
InChIKeyCTKRCLMAOIALBF-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.19
Rot. Bonds7

About N,N-diethyl-2-(3-fluoropropylamino)propanamide

N,N-diethyl-2-(3-fluoropropylamino)propanamide (PubChem CID 115731800) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is N,N-diethyl-2-(3-fluoropropylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-fluoropropylamino)propanamide
PubChem CID115731800
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC NameN,N-diethyl-2-(3-fluoropropylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NCCCF
InChIInChI=1S/C10H21FN2O/c1-4-13(5-2)10(14)9(3)12-8-6-7-11/h9,12H,4-8H2,1-3H3
InChIKeyCTKRCLMAOIALBF-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-(3-fluoropropylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473350
N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
CID 114171795
ethyl 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60720402
2-(3-fluoropropylamino)propanamide
CID 81105726
2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide
CID 83120791
N,N-diethyl-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036216
2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906
N,N-diethyl-2-(2-piperidin-1-ylethylamino)propanamide
CID 54967472
2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide
CID 106438046
N,N-diethyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 115588925
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide
CID 103852838

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-fluoropropylamino)propanamide?
The IUPAC name of N,N-diethyl-2-(3-fluoropropylamino)propanamide (CID 115731800) is N,N-diethyl-2-(3-fluoropropylamino)propanamide.
What is the SMILES notation for N,N-diethyl-2-(3-fluoropropylamino)propanamide?
The canonical SMILES for N,N-diethyl-2-(3-fluoropropylamino)propanamide is CCN(CC)C(=O)C(C)NCCCF.
What is the InChIKey of N,N-diethyl-2-(3-fluoropropylamino)propanamide?
The InChIKey is CTKRCLMAOIALBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-4-13(5-2)10(14)9(3)12-8-6-7-11/h9,12H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-fluoropropylamino)propanamide?
N,N-diethyl-2-(3-fluoropropylamino)propanamide has a molecular weight of 204.29 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-fluoropropylamino)propanamide is sourced from PubChem (CID 115731800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).