3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide

C12H28N4O3 — CID 143379071

IUPAC3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide
SMILESCNC(=O)CCN(CCNCCO)CCC(O)NC
InChIInChI=1S/C12H28N4O3/c1-13-11(18)3-7-16(8-4-12(19)14-2)9-5-15-6-10-17/h11,13,15,17-18H,3-10H2,1-2H3,(H,14,19)
InChIKeyMEPYGAPROIXKSW-UHFFFAOYSA-N
MW276.38 g/mol
LogP-2.07
Rot. Bonds12

About 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide

3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide (PubChem CID 143379071) has the molecular formula C12H28N4O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide
PubChem CID143379071
Molecular FormulaC12H28N4O3
Molecular Weight276.38 g/mol
Exact Mass276.22
IUPAC Name3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide
SMILESCNC(=O)CCN(CCNCCO)CCC(O)NC
InChIInChI=1S/C12H28N4O3/c1-13-11(18)3-7-16(8-4-12(19)14-2)9-5-15-6-10-17/h11,13,15,17-18H,3-10H2,1-2H3,(H,14,19)
InChIKeyMEPYGAPROIXKSW-UHFFFAOYSA-N
XLogP-2.07
TPSA96.86 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 5-2.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
3-[2-[2-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(methylamino)-3-oxopropyl]amino]ethyl-(3-oxobutyl)amino]-N-methylpropanamide
CID 118011724
3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105591
6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide
CID 58105394
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide
CID 167153611
3-(dipropylamino)-N-methylpropanamide
CID 90814262
1-[2-(2-hydroxyethylamino)ethyl-(3-oxoheptyl)amino]heptan-3-one
CID 58040518
3-[2-[2-[2-aminoethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]-N-methylpropanamide
CID 88673589
3-[2-aminoethyl(2-hydroxyethyl)amino]-N-methylpropanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]ethyl]amino]propanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-(2-hydroxyethylamino)ethyl]amino]propanamide;N-dodecyl-6-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]hexanamide;N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 123694229
3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
CID 90920758
3-[2-(2-hydroxyethylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 90867767
methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
CID 118657519

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide?
The IUPAC name of 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide (CID 143379071) is 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide is CNC(=O)CCN(CCNCCO)CCC(O)NC.
What is the InChIKey of 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide?
The InChIKey is MEPYGAPROIXKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O3/c1-13-11(18)3-7-16(8-4-12(19)14-2)9-5-15-6-10-17/h11,13,15,17-18H,3-10H2,1-2H3,(H,14,19).
What are the key properties of 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide?
3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide has a molecular weight of 276.38 g/mol, XLogP of -2.07, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethylamino)ethyl-[3-hydroxy-3-(methylamino)propyl]amino]-N-methylpropanamide is sourced from PubChem (CID 143379071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).