3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide

C20H41N5O — CID 170094650

IUPAC3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
SMILESCCCCN(CCCC)CCCNCCC(=O)NCCN1CCN=C1C
InChIInChI=1S/C20H41N5O/c1-4-6-14-24(15-7-5-2)16-8-10-21-11-9-20(26)23-13-18-25-17-12-22-19(25)3/h21H,4-18H2,1-3H3,(H,23,26)
InChIKeyOJMIHZSSXYSAMG-UHFFFAOYSA-N
MW367.58 g/mol
LogP2.11
Rot. Bonds16

About 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide

3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide (PubChem CID 170094650) has the molecular formula C20H41N5O and a molecular weight of 367.58 g/mol. Its IUPAC name is 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
PubChem CID170094650
Molecular FormulaC20H41N5O
Molecular Weight367.58 g/mol
Exact Mass367.33
IUPAC Name3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
SMILESCCCCN(CCCC)CCCNCCC(=O)NCCN1CCN=C1C
InChIInChI=1S/C20H41N5O/c1-4-6-14-24(15-7-5-2)16-8-10-21-11-9-20(26)23-13-18-25-17-12-22-19(25)3/h21H,4-18H2,1-3H3,(H,23,26)
InChIKeyOJMIHZSSXYSAMG-UHFFFAOYSA-N
XLogP2.11
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide (CID 170094650) is 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide is CCCCN(CCCC)CCCNCCC(=O)NCCN1CCN=C1C.
What is the InChIKey of 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
The InChIKey is OJMIHZSSXYSAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O/c1-4-6-14-24(15-7-5-2)16-8-10-21-11-9-20(26)23-13-18-25-17-12-22-19(25)3/h21H,4-18H2,1-3H3,(H,23,26).
What are the key properties of 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide?
3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide has a molecular weight of 367.58 g/mol, XLogP of 2.11, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 170094650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).