2-[2-(2-methylidenebutylamino)ethoxy]acetamide

C9H18N2O2 — CID 106237732

IUPAC2-[2-(2-methylidenebutylamino)ethoxy]acetamide
SMILESC=C(CC)CNCCOCC(N)=O
InChIInChI=1S/C9H18N2O2/c1-3-8(2)6-11-4-5-13-7-9(10)12/h11H,2-7H2,1H3,(H2,10,12)
InChIKeySPVGLGMKYQUYJR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.04
Rot. Bonds8

About 2-[2-(2-methylidenebutylamino)ethoxy]acetamide

2-[2-(2-methylidenebutylamino)ethoxy]acetamide (PubChem CID 106237732) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(2-methylidenebutylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-methylidenebutylamino)ethoxy]acetamide
PubChem CID106237732
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[2-(2-methylidenebutylamino)ethoxy]acetamide
SMILESC=C(CC)CNCCOCC(N)=O
InChIInChI=1S/C9H18N2O2/c1-3-8(2)6-11-4-5-13-7-9(10)12/h11H,2-7H2,1H3,(H2,10,12)
InChIKeySPVGLGMKYQUYJR-UHFFFAOYSA-N
XLogP0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(propylamino)ethoxy]acetamide
CID 62336867
2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-cyclopropylacetamide
CID 106237778
2-(2-methylidenebutylamino)acetamide
CID 66047349
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)acetamide
CID 106236362
2-[2-(methylamino)ethoxy]acetamide;hydrochloride
CID 90229092
methyl 3-(2-methylidenebutylamino)propanoate
CID 66045929
2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide
CID 106237934
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
CID 114467608
2-[2-(propylcarbamothioylamino)ethoxy]acetamide
CID 106235159
2-[2-(2-hydrazinylethoxy)ethoxy]acetamide
CID 123413138

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylidenebutylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-methylidenebutylamino)ethoxy]acetamide (CID 106237732) is 2-[2-(2-methylidenebutylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-methylidenebutylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-methylidenebutylamino)ethoxy]acetamide is C=C(CC)CNCCOCC(N)=O.
What is the InChIKey of 2-[2-(2-methylidenebutylamino)ethoxy]acetamide?
The InChIKey is SPVGLGMKYQUYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8(2)6-11-4-5-13-7-9(10)12/h11H,2-7H2,1H3,(H2,10,12).
What are the key properties of 2-[2-(2-methylidenebutylamino)ethoxy]acetamide?
2-[2-(2-methylidenebutylamino)ethoxy]acetamide has a molecular weight of 186.25 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylidenebutylamino)ethoxy]acetamide is sourced from PubChem (CID 106237732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).