3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide

C15H34N6O2 — CID 143379058

IUPAC3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
SMILESCCNC(=O)CCNCCNCCNCCNCCC(=O)NC
InChIInChI=1S/C15H34N6O2/c1-3-21-15(23)5-7-18-9-11-20-13-12-19-10-8-17-6-4-14(22)16-2/h17-20H,3-13H2,1-2H3,(H,16,22)(H,21,23)
InChIKeyVAYJJNQVRZETMA-UHFFFAOYSA-N
MW330.48 g/mol
LogP-1.99
Rot. Bonds16

About 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide

3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide (PubChem CID 143379058) has the molecular formula C15H34N6O2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
PubChem CID143379058
Molecular FormulaC15H34N6O2
Molecular Weight330.48 g/mol
Exact Mass330.27
IUPAC Name3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
SMILESCCNC(=O)CCNCCNCCNCCNCCC(=O)NC
InChIInChI=1S/C15H34N6O2/c1-3-21-15(23)5-7-18-9-11-20-13-12-19-10-8-17-6-4-14(22)16-2/h17-20H,3-13H2,1-2H3,(H,16,22)(H,21,23)
InChIKeyVAYJJNQVRZETMA-UHFFFAOYSA-N
XLogP-1.99
TPSA106.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 5-1.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
N-ethyl-3-(6-hydroxyhexylamino)propanamide
CID 107703596
3-(2-fluoroethylamino)-N-methylpropanamide
CID 80695832
N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide
CID 65106246
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
N-methyl-3-(2-methylsulfanylethylamino)propanamide
CID 63967095
3-(2-cyclohexylethylamino)-N-ethylpropanamide
CID 62324401
N'-ethyl-N-methylpropanediamide;methane
CID 158978281
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246679
N-ethyl-3-[(3-hydroxycyclobutyl)methylamino]propanamide
CID 66005260

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide?
The IUPAC name of 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide (CID 143379058) is 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide?
The canonical SMILES for 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide is CCNC(=O)CCNCCNCCNCCNCCC(=O)NC.
What is the InChIKey of 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide?
The InChIKey is VAYJJNQVRZETMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N6O2/c1-3-21-15(23)5-7-18-9-11-20-13-12-19-10-8-17-6-4-14(22)16-2/h17-20H,3-13H2,1-2H3,(H,16,22)(H,21,23).
What are the key properties of 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide?
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide has a molecular weight of 330.48 g/mol, XLogP of -1.99, 16 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide is sourced from PubChem (CID 143379058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).