N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H23NO3 — CID 112605413

IUPACN-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOCCCCNC(=O)COC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-9-10(13)12-7-5-6-8-14-4/h5-9H2,1-4H3,(H,12,13)
InChIKeyKLHIQJOBDRIJLH-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds7

About N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112605413) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112605413
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOCCCCNC(=O)COC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-9-10(13)12-7-5-6-8-14-4/h5-9H2,1-4H3,(H,12,13)
InChIKeyKLHIQJOBDRIJLH-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605068
N-(6-bromohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107847524
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107300430
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
N-(3-methoxypropyl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723889
ethane;[2-(8-methoxyoctylamino)-2-oxoethyl]azanide;yttrium
CID 154671877
2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
CID 112605102

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112605413) is N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is COCCCCNC(=O)COC(C)(C)C.
What is the InChIKey of N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is KLHIQJOBDRIJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)15-9-10(13)12-7-5-6-8-14-4/h5-9H2,1-4H3,(H,12,13).
What are the key properties of N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 217.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112605413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).