2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide

C15H23NO2 — CID 892170

IUPAC2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCc1cccc(OCC(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)16(12(3)4)15(17)10-18-14-8-6-7-13(5)9-14/h6-9,11-12H,10H2,1-5H3
InChIKeyXXNUFPUAOYBFTC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.02
Rot. Bonds5

About 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide

2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide (PubChem CID 892170) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
PubChem CID892170
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCc1cccc(OCC(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)16(12(3)4)15(17)10-18-14-8-6-7-13(5)9-14/h6-9,11-12H,10H2,1-5H3
InChIKeyXXNUFPUAOYBFTC-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699
N-benzhydryl-N-methyl-2-(3-methylphenoxy)acetamide
CID 8919009
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)acetamide
CID 78762157
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206
1-(3-methylphenoxy)butan-2-one
CID 19100291
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 4231625
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258
3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
CID 54899163

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide (CID 892170) is 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide is Cc1cccc(OCC(=O)N(C(C)C)C(C)C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
The InChIKey is XXNUFPUAOYBFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)16(12(3)4)15(17)10-18-14-8-6-7-13(5)9-14/h6-9,11-12H,10H2,1-5H3.
What are the key properties of 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide?
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide has a molecular weight of 249.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 892170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).