ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide

C12H26N2O4 — CID 177342211

IUPACethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
SMILESCC.CNCC(=O)NCCOCCOCCC=O
InChIInChI=1S/C10H20N2O4.C2H6/c1-11-9-10(14)12-3-6-16-8-7-15-5-2-4-13;1-2/h4,11H,2-3,5-9H2,1H3,(H,12,14);1-2H3
InChIKeyDPRNBFNMPQEFFZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP-0.03
Rot. Bonds11

About ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide

ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide (PubChem CID 177342211) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Nameethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
PubChem CID177342211
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Nameethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
SMILESCC.CNCC(=O)NCCOCCOCCC=O
InChIInChI=1S/C10H20N2O4.C2H6/c1-11-9-10(14)12-3-6-16-8-7-15-5-2-4-13;1-2/h4,11H,2-3,5-9H2,1H3,(H,12,14);1-2H3
InChIKeyDPRNBFNMPQEFFZ-UHFFFAOYSA-N
XLogP-0.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 145320250
3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
CID 145418064
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-(2-butoxyethyl)-2-(methylamino)acetamide
CID 61175686
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid
CID 171541687

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide?
The IUPAC name of ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide (CID 177342211) is ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide is CC.CNCC(=O)NCCOCCOCCC=O.
What is the InChIKey of ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide?
The InChIKey is DPRNBFNMPQEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4.C2H6/c1-11-9-10(14)12-3-6-16-8-7-15-5-2-4-13;1-2/h4,11H,2-3,5-9H2,1H3,(H,12,14);1-2H3.
What are the key properties of ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide?
ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of -0.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 177342211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).