3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide

C11H24N2O2 — CID 58040583

IUPAC3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(CCC)CCO
InChIInChI=1S/C11H24N2O2/c1-3-6-12-11(15)5-8-13(7-4-2)9-10-14/h14H,3-10H2,1-2H3,(H,12,15)
InChIKeyKMYFLUIXRQKOJU-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.61
Rot. Bonds9

About 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide

3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide (PubChem CID 58040583) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide
PubChem CID58040583
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(CCC)CCO
InChIInChI=1S/C11H24N2O2/c1-3-6-12-11(15)5-8-13(7-4-2)9-10-14/h14H,3-10H2,1-2H3,(H,12,15)
InChIKeyKMYFLUIXRQKOJU-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 117919
CID 117919
CID 71587349
CID 71587349
CID 87536
CID 87536
CID 52044
CID 52044
CID 19805630
CID 19805630
CID 241552
CID 241552
CID 332254
CID 332254
CID 81682846
CID 81682846
CID 155943543
CID 155943543
CID 23422456
CID 23422456
CID 15405417
CID 15405417
CID 117126613
CID 117126613

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide (CID 58040583) is 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide is CCCNC(=O)CCN(CCC)CCO.
What is the InChIKey of 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide?
The InChIKey is KMYFLUIXRQKOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-6-12-11(15)5-8-13(7-4-2)9-10-14/h14H,3-10H2,1-2H3,(H,12,15).
What are the key properties of 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide?
3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide has a molecular weight of 216.32 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide is sourced from PubChem (CID 58040583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).