2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide

C9H20N4O2 — CID 62688633

IUPAC2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)CCN
InChIInChI=1S/C9H20N4O2/c1-3-5-11-9(15)12-8(14)7-13(2)6-4-10/h3-7,10H2,1-2H3,(H2,11,12,14,15)
InChIKeyWQPIXYRKQYGGBU-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.89
Rot. Bonds6

About 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide (PubChem CID 62688633) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
PubChem CID62688633
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)CCN
InChIInChI=1S/C9H20N4O2/c1-3-5-11-9(15)12-8(14)7-13(2)6-4-10/h3-7,10H2,1-2H3,(H2,11,12,14,15)
InChIKeyWQPIXYRKQYGGBU-UHFFFAOYSA-N
XLogP-0.89
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
CID 146142232
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 81493509
N-(propylcarbamoyl)butanamide
CID 12936931
N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334696
2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 40706145
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 61486750
4-[[2-[2-aminoethyl(methyl)amino]acetyl]amino]butanoic acid
CID 62687929
2-bromo-N-(propylcarbamoyl)acetamide
CID 81223054
2-[methyl(3-oxopropyl)amino]-N-propylacetamide
CID 63040548
4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide
CID 167820790

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide (CID 62688633) is 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(C)CCN.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is WQPIXYRKQYGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-3-5-11-9(15)12-8(14)7-13(2)6-4-10/h3-7,10H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 216.28 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 62688633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).