3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide

C13H25N3O5 — CID 142430015

IUPAC3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
SMILESCC(=O)NCCNC(=O)CCOCCOCCNC(C)=O
InChIInChI=1S/C13H25N3O5/c1-11(17)14-4-5-16-13(19)3-7-20-9-10-21-8-6-15-12(2)18/h3-10H2,1-2H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyLGCZKCOBGSGPTH-UHFFFAOYSA-N
MW303.36 g/mol
LogP-1.20
Rot. Bonds12

About 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide

3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide (PubChem CID 142430015) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide.

Molecular Properties

Compound Name3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
PubChem CID142430015
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Name3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
SMILESCC(=O)NCCNC(=O)CCOCCOCCNC(C)=O
InChIInChI=1S/C13H25N3O5/c1-11(17)14-4-5-16-13(19)3-7-20-9-10-21-8-6-15-12(2)18/h3-10H2,1-2H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyLGCZKCOBGSGPTH-UHFFFAOYSA-N
XLogP-1.20
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
CID 164592894
N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 167096270
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
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
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide?
The IUPAC name of 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide (CID 142430015) is 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide.
What is the SMILES notation for 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide?
The canonical SMILES for 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide is CC(=O)NCCNC(=O)CCOCCOCCNC(C)=O.
What is the InChIKey of 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide?
The InChIKey is LGCZKCOBGSGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-11(17)14-4-5-16-13(19)3-7-20-9-10-21-8-6-15-12(2)18/h3-10H2,1-2H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide?
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide has a molecular weight of 303.36 g/mol, XLogP of -1.20, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide is sourced from PubChem (CID 142430015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).