2-(2,5-dimethylphenoxy)-N,N-diethylacetamide

C14H21NO2 — CID 920931

IUPAC2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)14(16)10-17-13-9-11(3)7-8-12(13)4/h7-9H,5-6,10H2,1-4H3
InChIKeyNKSKGHMQHDRYFU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide

2-(2,5-dimethylphenoxy)-N,N-diethylacetamide (PubChem CID 920931) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
PubChem CID920931
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)14(16)10-17-13-9-11(3)7-8-12(13)4/h7-9H,5-6,10H2,1-4H3
InChIKeyNKSKGHMQHDRYFU-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978059
N,N-diethyl-2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]acetamide
CID 78947011
2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
CID 107434278
N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide
CID 5208204
2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
CID 43505060
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 86997222
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 78785126

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide (CID 920931) is 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide?
The InChIKey is NKSKGHMQHDRYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15(6-2)14(16)10-17-13-9-11(3)7-8-12(13)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide?
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide has a molecular weight of 235.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 920931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).