2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide

C14H21NO3 — CID 82723508

IUPAC2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccc(C)c(OCC(=O)NOC(C)(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10-6-7-11(2)12(8-10)17-9-13(16)15-18-14(3,4)5/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyVXUORVROTJQILO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.53
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide

2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 82723508) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID82723508
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccc(C)c(OCC(=O)NOC(C)(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10-6-7-11(2)12(8-10)17-9-13(16)15-18-14(3,4)5/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyVXUORVROTJQILO-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368937
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160
ethyl 4-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932671
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
CID 119611347
ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 146594255

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide (CID 82723508) is 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide is Cc1ccc(C)c(OCC(=O)NOC(C)(C)C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is VXUORVROTJQILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-6-7-11(2)12(8-10)17-9-13(16)15-18-14(3,4)5/h6-8H,9H2,1-5H3,(H,15,16).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide?
2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 82723508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).