2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide

C17H30N2O7 — CID 142338820

IUPAC2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide
SMILESC=C(C)C(=O)COCCOCCNC(=O)COCCOCCNC(C)=O
InChIInChI=1S/C17H30N2O7/c1-14(2)16(21)12-25-10-8-24-7-5-19-17(22)13-26-11-9-23-6-4-18-15(3)20/h1,4-13H2,2-3H3,(H,18,20)(H,19,22)
InChIKeyATMGWEUHGHUFBC-UHFFFAOYSA-N
MW374.43 g/mol
LogP-0.55
Rot. Bonds17

About 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide

2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide (PubChem CID 142338820) has the molecular formula C17H30N2O7 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide
PubChem CID142338820
Molecular FormulaC17H30N2O7
Molecular Weight374.43 g/mol
Exact Mass374.21
IUPAC Name2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide
SMILESC=C(C)C(=O)COCCOCCNC(=O)COCCOCCNC(C)=O
InChIInChI=1S/C17H30N2O7/c1-14(2)16(21)12-25-10-8-24-7-5-19-17(22)13-26-11-9-23-6-4-18-15(3)20/h1,4-13H2,2-3H3,(H,18,20)(H,19,22)
InChIKeyATMGWEUHGHUFBC-UHFFFAOYSA-N
XLogP-0.55
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide (CID 142338820) is 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide is C=C(C)C(=O)COCCOCCNC(=O)COCCOCCNC(C)=O.
What is the InChIKey of 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide?
The InChIKey is ATMGWEUHGHUFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O7/c1-14(2)16(21)12-25-10-8-24-7-5-19-17(22)13-26-11-9-23-6-4-18-15(3)20/h1,4-13H2,2-3H3,(H,18,20)(H,19,22).
What are the key properties of 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide?
2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide has a molecular weight of 374.43 g/mol, XLogP of -0.55, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetamidoethoxy)ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 142338820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).