2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide

C19H35N3O10 — CID 142338805

IUPAC2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide
SMILESCC(=O)NCC(=O)O.CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O
InChIInChI=1S/C15H28N2O7.C4H7NO3/c1-2-14(19)16-3-6-22-11-12-24-13-15(20)17-4-7-21-9-10-23-8-5-18;1-3(6)5-2-4(7)8/h5H,2-4,6-13H2,1H3,(H,16,19)(H,17,20);2H2,1H3,(H,5,6)(H,7,8)
InChIKeyWOKYAZPYLRSHNP-UHFFFAOYSA-N
MW465.50 g/mol
LogP-1.90
Rot. Bonds19

About 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide

2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 142338805) has the molecular formula C19H35N3O10 and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide
PubChem CID142338805
Molecular FormulaC19H35N3O10
Molecular Weight465.50 g/mol
Exact Mass465.23
IUPAC Name2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide
SMILESCC(=O)NCC(=O)O.CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O
InChIInChI=1S/C15H28N2O7.C4H7NO3/c1-2-14(19)16-3-6-22-11-12-24-13-15(20)17-4-7-21-9-10-23-8-5-18;1-3(6)5-2-4(7)8/h5H,2-4,6-13H2,1H3,(H,16,19)(H,17,20);2H2,1H3,(H,5,6)(H,7,8)
InChIKeyWOKYAZPYLRSHNP-UHFFFAOYSA-N
XLogP-1.90
TPSA178.59 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163401026
2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
CID 172626027
20-oxo-20-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]icosanoic acid
CID 123822087
N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144635038
N-(2-ethoxyethyl)-2-(2-oxoethoxy)acetamide
CID 139515963
2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
CID 87275453
5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid
CID 144843622
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727684
N-[2-[2-[2-[2-[2-[2-(dimethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 134469535
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
CID 123251408
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 171819363

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide (CID 142338805) is 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide is CC(=O)NCC(=O)O.CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O.
What is the InChIKey of 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is WOKYAZPYLRSHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O7.C4H7NO3/c1-2-14(19)16-3-6-22-11-12-24-13-15(20)17-4-7-21-9-10-23-8-5-18;1-3(6)5-2-4(7)8/h5H,2-4,6-13H2,1H3,(H,16,19)(H,17,20);2H2,1H3,(H,5,6)(H,7,8).
What are the key properties of 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide?
2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 465.50 g/mol, XLogP of -1.90, 19 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 142338805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).