3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide

C12H28N4O2 — CID 177307033

IUPAC3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide
SMILESCCOCNCCCCNCCNCCC(N)=O
InChIInChI=1S/C12H28N4O2/c1-2-18-11-16-7-4-3-6-14-9-10-15-8-5-12(13)17/h14-16H,2-11H2,1H3,(H2,13,17)
InChIKeyOYJFJTLTJJYPRL-UHFFFAOYSA-N
MW260.38 g/mol
LogP-0.60
Rot. Bonds14

About 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide

3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide (PubChem CID 177307033) has the molecular formula C12H28N4O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide.

Molecular Properties

Compound Name3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide
PubChem CID177307033
Molecular FormulaC12H28N4O2
Molecular Weight260.38 g/mol
Exact Mass260.22
IUPAC Name3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide
SMILESCCOCNCCCCNCCNCCC(N)=O
InChIInChI=1S/C12H28N4O2/c1-2-18-11-16-7-4-3-6-14-9-10-15-8-5-12(13)17/h14-16H,2-11H2,1H3,(H2,13,17)
InChIKeyOYJFJTLTJJYPRL-UHFFFAOYSA-N
XLogP-0.60
TPSA88.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid
CID 175703832
5-(2-propoxyethylamino)pentanamide
CID 106237519
2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
CID 175210983
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
3-(5-hydroxypentylamino)propanamide
CID 62227149
12-(hexylamino)dodecanamide
CID 174861179
6-(decylamino)hexanamide
CID 13292350
4-(propylamino)butanamide
CID 21468794
3-(3-ethylsulfanylpropylamino)propanamide
CID 104586816
5-(3,3-diethoxypropylamino)pentanamide
CID 114162185
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
3-[(2-methylpropan-2-yl)oxymethylamino]propanamide
CID 130284943

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide?
The IUPAC name of 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide (CID 177307033) is 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide.
What is the SMILES notation for 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide?
The canonical SMILES for 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide is CCOCNCCCCNCCNCCC(N)=O.
What is the InChIKey of 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide?
The InChIKey is OYJFJTLTJJYPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2/c1-2-18-11-16-7-4-3-6-14-9-10-15-8-5-12(13)17/h14-16H,2-11H2,1H3,(H2,13,17).
What are the key properties of 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide?
3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide has a molecular weight of 260.38 g/mol, XLogP of -0.60, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide is sourced from PubChem (CID 177307033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).