N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H28N2O3 — CID 142934117

IUPACN-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESC=C(CC)C(=O)NCC.CNC(=O)COC(C)(C)C
InChIInChI=1S/C7H15NO2.C7H13NO/c1-7(2,3)10-5-6(9)8-4;1-4-6(3)7(9)8-5-2/h5H2,1-4H3,(H,8,9);3-5H2,1-2H3,(H,8,9)
InChIKeySEBUVUUIPKPYAV-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.64
Rot. Bonds5

About N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 142934117) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID142934117
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESC=C(CC)C(=O)NCC.CNC(=O)COC(C)(C)C
InChIInChI=1S/C7H15NO2.C7H13NO/c1-7(2,3)10-5-6(9)8-4;1-4-6(3)7(9)8-5-2/h5H2,1-4H3,(H,8,9);3-5H2,1-2H3,(H,8,9)
InChIKeySEBUVUUIPKPYAV-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112605003
N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968521
2-[2-(ethylamino)-2-oxoethoxy]-N-methylacetamide
CID 90077876
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104630084
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199
N-ethyl-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112604720
N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605068
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 58062415
N-ethyl-2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]acetamide
CID 115950017
N-[2-(ethylsulfamoyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944363

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 142934117) is N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is C=C(CC)C(=O)NCC.CNC(=O)COC(C)(C)C.
What is the InChIKey of N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is SEBUVUUIPKPYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C7H13NO/c1-7(2,3)10-5-6(9)8-4;1-4-6(3)7(9)8-5-2/h5H2,1-4H3,(H,8,9);3-5H2,1-2H3,(H,8,9).
What are the key properties of N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 272.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 142934117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).