N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide

C19H23NO3 — CID 110884598

IUPACN-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
SMILESCCC(O)c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H23NO3/c1-4-18(21)15-7-9-16(10-8-15)23-12-19(22)20-17-11-13(2)5-6-14(17)3/h5-11,18,21H,4,12H2,1-3H3,(H,20,22)
InChIKeyMHSALUWANKVIBS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.76
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide

N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide (PubChem CID 110884598) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
PubChem CID110884598
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
SMILESCCC(O)c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H23NO3/c1-4-18(21)15-7-9-16(10-8-15)23-12-19(22)20-17-11-13(2)5-6-14(17)3/h5-11,18,21H,4,12H2,1-3H3,(H,20,22)
InChIKeyMHSALUWANKVIBS-UHFFFAOYSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884676
N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793156
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884621
2-(4-chloro-3-ethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 7642630
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754
diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 7917451
2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 111439460
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105
N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 86919939
2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4959294
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide (CID 110884598) is N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide is CCC(O)c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
The InChIKey is MHSALUWANKVIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-18(21)15-7-9-16(10-8-15)23-12-19(22)20-17-11-13(2)5-6-14(17)3/h5-11,18,21H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide?
N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide is sourced from PubChem (CID 110884598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).