N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide

C10H18N2O4 — CID 91082226

IUPACN-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCOCCNC(C)=O
InChIInChI=1S/C10H18N2O4/c1-8(13)7-10(15)12-4-6-16-5-3-11-9(2)14/h3-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeySCYKZFVSVSOWJK-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.77
Rot. Bonds8

About N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide

N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide (PubChem CID 91082226) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
PubChem CID91082226
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC NameN-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCOCCNC(C)=O
InChIInChI=1S/C10H18N2O4/c1-8(13)7-10(15)12-4-6-16-5-3-11-9(2)14/h3-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeySCYKZFVSVSOWJK-UHFFFAOYSA-N
XLogP-0.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 142541968
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
N-[2-(2-oxopropoxy)ethyl]acetamide
CID 144871697
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
N-[2-(2-acetamidoethoxy)ethyl]-2-propan-2-yloxyacetamide
CID 142616646
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
CID 164592894
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 142616578
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide?
The IUPAC name of N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide (CID 91082226) is N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide.
What is the SMILES notation for N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide?
The canonical SMILES for N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide is CC(=O)CC(=O)NCCOCCNC(C)=O.
What is the InChIKey of N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide?
The InChIKey is SCYKZFVSVSOWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-8(13)7-10(15)12-4-6-16-5-3-11-9(2)14/h3-7H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide?
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide has a molecular weight of 230.26 g/mol, XLogP of -0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide is sourced from PubChem (CID 91082226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).