2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide

C8H17N3O3 — CID 79478783

IUPAC2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)COCCN
InChIInChI=1S/C8H17N3O3/c1-6(8(13)10-2)11-7(12)5-14-4-3-9/h6H,3-5,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyHOGHABCLSCJXGG-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.79
Rot. Bonds6

About 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide

2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide (PubChem CID 79478783) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide
PubChem CID79478783
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)COCCN
InChIInChI=1S/C8H17N3O3/c1-6(8(13)10-2)11-7(12)5-14-4-3-9/h6H,3-5,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyHOGHABCLSCJXGG-UHFFFAOYSA-N
XLogP-1.79
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide
CID 112701701
2-(2-aminoethoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79479783
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 175808420
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115740075
2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide
CID 79478469
5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
CID 82846274
2-(2-aminoethoxy)-N-(1-ethylsulfanylpropan-2-yl)acetamide
CID 115739921
(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
CID 118895063
2-(2-aminoethoxy)-N-(1-methoxybutan-2-yl)acetamide
CID 79478592
2-(2-aminoethoxy)-N-hexan-3-ylacetamide
CID 79478574
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide (CID 79478783) is 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)NC(=O)COCCN.
What is the InChIKey of 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide?
The InChIKey is HOGHABCLSCJXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-6(8(13)10-2)11-7(12)5-14-4-3-9/h6H,3-5,9H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide?
2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide has a molecular weight of 203.24 g/mol, XLogP of -1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 79478783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).