N-[2-(diethylamino)ethyl]propanamide

C9H20N2O — CID 3047315

IUPACN-[2-(diethylamino)ethyl]propanamide
SMILESCCC(=O)NCCN(CC)CC
InChIInChI=1S/C9H20N2O/c1-4-9(12)10-7-8-11(5-2)6-3/h4-8H2,1-3H3,(H,10,12)
InChIKeyZJJAQVISALRGCN-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.85
Rot. Bonds6

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

N-[2-(diethylamino)ethyl]propanamide (PubChem CID 3047315) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]propanamide
PubChem CID3047315
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[2-(diethylamino)ethyl]propanamide
SMILESCCC(=O)NCCN(CC)CC
InChIInChI=1S/C9H20N2O/c1-4-9(12)10-7-8-11(5-2)6-3/h4-8H2,1-3H3,(H,10,12)
InChIKeyZJJAQVISALRGCN-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]propanamide (CID 3047315) is N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]propanamide is CCC(=O)NCCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is ZJJAQVISALRGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-9(12)10-7-8-11(5-2)6-3/h4-8H2,1-3H3,(H,10,12).
What are the key properties of N-[2-(diethylamino)ethyl]propanamide?
N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 172.27 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 3047315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).