4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine

C23H50N4O6 — CID 171093333

IUPAC4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine
SMILESCCOCCOCC(=O)NCCCCCCCCCCC(=O)O.CNC.NCCCC(N)=O
InChIInChI=1S/C17H33NO5.C4H10N2O.C2H7N/c1-2-22-13-14-23-15-16(19)18-12-10-8-6-4-3-5-7-9-11-17(20)21;5-3-1-2-4(6)7;1-3-2/h2-15H2,1H3,(H,18,19)(H,20,21);1-3,5H2,(H2,6,7);3H,1-2H3
InChIKeyOEYHAMOFJUFCGP-UHFFFAOYSA-N
MW478.68 g/mol
LogP1.80
Rot. Bonds20

About 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine

4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine (PubChem CID 171093333) has the molecular formula C23H50N4O6 and a molecular weight of 478.68 g/mol. Its IUPAC name is 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine.

Molecular Properties

Compound Name4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine
PubChem CID171093333
Molecular FormulaC23H50N4O6
Molecular Weight478.68 g/mol
Exact Mass478.37
IUPAC Name4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine
SMILESCCOCCOCC(=O)NCCCCCCCCCCC(=O)O.CNC.NCCCC(N)=O
InChIInChI=1S/C17H33NO5.C4H10N2O.C2H7N/c1-2-22-13-14-23-15-16(19)18-12-10-8-6-4-3-5-7-9-11-17(20)21;5-3-1-2-4(6)7;1-3-2/h2-15H2,1H3,(H,18,19)(H,20,21);1-3,5H2,(H2,6,7);3H,1-2H3
InChIKeyOEYHAMOFJUFCGP-UHFFFAOYSA-N
XLogP1.80
TPSA166.00 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.68
LogP ≤ 51.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004
5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
CID 79479657
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
11-[[2-[2-[2-[[(2S)-3-carboxy-2-[(2-ethoxyacetyl)amino]propanoyl]amino]ethoxy]ethoxy]acetyl]amino]undecanoic acid
CID 171747730
11-[[2-[2-[2-(6-carboxyhexanoylamino)ethoxy]ethoxy]acetyl]amino]undecanoic acid;(Z)-prop-1-en-1-amine
CID 170598132
5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
CID 141090456
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide
CID 162524798

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine?
The IUPAC name of 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine (CID 171093333) is 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine.
What is the SMILES notation for 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine?
The canonical SMILES for 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine is CCOCCOCC(=O)NCCCCCCCCCCC(=O)O.CNC.NCCCC(N)=O.
What is the InChIKey of 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine?
The InChIKey is OEYHAMOFJUFCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO5.C4H10N2O.C2H7N/c1-2-22-13-14-23-15-16(19)18-12-10-8-6-4-3-5-7-9-11-17(20)21;5-3-1-2-4(6)7;1-3-2/h2-15H2,1H3,(H,18,19)(H,20,21);1-3,5H2,(H2,6,7);3H,1-2H3.
What are the key properties of 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine?
4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine has a molecular weight of 478.68 g/mol, XLogP of 1.80, 20 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine is sourced from PubChem (CID 171093333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).