3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide

C9H19N3O2 — CID 61066515

IUPAC3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CCC(N)=O)CC(=O)NC
InChIInChI=1S/C9H19N3O2/c1-3-5-12(6-4-8(10)13)7-9(14)11-2/h3-7H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyJELDEVRQPKISNI-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.68
Rot. Bonds7

About 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide

3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide (PubChem CID 61066515) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide.

Molecular Properties

Compound Name3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
PubChem CID61066515
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CCC(N)=O)CC(=O)NC
InChIInChI=1S/C9H19N3O2/c1-3-5-12(6-4-8(10)13)7-9(14)11-2/h3-7H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyJELDEVRQPKISNI-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-oxobutyl(propyl)amino]acetamide
CID 62036736
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
3-(dipropylamino)-N-methylpropanamide
CID 90814262
N-methyl-2-[4-oxohexyl(propyl)amino]acetamide
CID 106801369
2-[cyanomethyl(propyl)amino]-N-methylacetamide
CID 61068678
2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid
CID 65473819
2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide
CID 63584441
2-(dipropylamino)-N-sulfanylacetamide
CID 160894543
2-[(4-amino-4-sulfanylidenebutyl)-ethylamino]-N-methylacetamide
CID 61450914
N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(2-oxopropyl)amino]acetamide
CID 163933463
ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate
CID 82770317
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 56792887

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide?
The IUPAC name of 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide (CID 61066515) is 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide.
What is the SMILES notation for 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide?
The canonical SMILES for 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide is CCCN(CCC(N)=O)CC(=O)NC.
What is the InChIKey of 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide?
The InChIKey is JELDEVRQPKISNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-5-12(6-4-8(10)13)7-9(14)11-2/h3-7H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide?
3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide has a molecular weight of 201.27 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide is sourced from PubChem (CID 61066515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).