3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide

C15H32N4O2 — CID 118657481

IUPAC3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide
SMILESCCCN(CCC(=O)NC)CCN(CCN)CCC(C)=O
InChIInChI=1S/C15H32N4O2/c1-4-8-18(10-6-15(21)17-3)12-13-19(11-7-16)9-5-14(2)20/h4-13,16H2,1-3H3,(H,17,21)
InChIKeyGKYYLNDWIDHCDR-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.07
Rot. Bonds13

About 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide

3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide (PubChem CID 118657481) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide
PubChem CID118657481
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Name3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide
SMILESCCCN(CCC(=O)NC)CCN(CCN)CCC(C)=O
InChIInChI=1S/C15H32N4O2/c1-4-8-18(10-6-15(21)17-3)12-13-19(11-7-16)9-5-14(2)20/h4-13,16H2,1-3H3,(H,17,21)
InChIKeyGKYYLNDWIDHCDR-UHFFFAOYSA-N
XLogP0.07
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dipropylamino)-N-methylpropanamide
CID 90814262
N-methyl-2-[3-oxobutyl(propyl)amino]acetamide
CID 62036736
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-[3-oxobutyl(propyl)amino]-N-propylpropanamide
CID 118297775
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
4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one
CID 168813653
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
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-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 61066515
4-[propyl-[3-(propylamino)propyl]amino]butan-2-one
CID 118673927
3-[3-aminopropyl(2-methoxyethyl)amino]-N-methylpropanamide
CID 63287350
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide?
The IUPAC name of 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide (CID 118657481) is 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide?
The canonical SMILES for 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide is CCCN(CCC(=O)NC)CCN(CCN)CCC(C)=O.
What is the InChIKey of 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide?
The InChIKey is GKYYLNDWIDHCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-4-8-18(10-6-15(21)17-3)12-13-19(11-7-16)9-5-14(2)20/h4-13,16H2,1-3H3,(H,17,21).
What are the key properties of 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide?
3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide has a molecular weight of 300.45 g/mol, XLogP of 0.07, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-aminoethyl(3-oxobutyl)amino]ethyl-propylamino]-N-methylpropanamide is sourced from PubChem (CID 118657481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).