2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide

C21H27NO3 — CID 133251910

IUPAC2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1cc(C)ccc1C)c1ccc(OC)c(C)c1
InChIInChI=1S/C21H27NO3/c1-6-18(17-9-10-19(24-5)16(4)12-17)22-21(23)13-25-20-11-14(2)7-8-15(20)3/h7-12,18H,6,13H2,1-5H3,(H,22,23)
InChIKeyUIWADZACUXHQST-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.27
Rot. Bonds7

About 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide

2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide (PubChem CID 133251910) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
PubChem CID133251910
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1cc(C)ccc1C)c1ccc(OC)c(C)c1
InChIInChI=1S/C21H27NO3/c1-6-18(17-9-10-19(24-5)16(4)12-17)22-21(23)13-25-20-11-14(2)7-8-15(20)3/h7-12,18H,6,13H2,1-5H3,(H,22,23)
InChIKeyUIWADZACUXHQST-UHFFFAOYSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133201746
2-(2-bromo-4-tert-butylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202649
2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133184316
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
2-(4-ethylphenyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100585229
2-(4-ethylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202725
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
2-(2,4-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133178453
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814195

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide (CID 133251910) is 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide is CCC(NC(=O)COc1cc(C)ccc1C)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The InChIKey is UIWADZACUXHQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-18(17-9-10-19(24-5)16(4)12-17)22-21(23)13-25-20-11-14(2)7-8-15(20)3/h7-12,18H,6,13H2,1-5H3,(H,22,23).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.27, 7 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-[1-(4-methoxy-3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 133251910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).