2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C21H27NO2 — CID 53266192

IUPAC2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2c(C)cccc2C(C)C)cc1C
InChIInChI=1S/C21H27NO2/c1-13(2)19-9-7-8-15(4)20(19)22-21(23)17(6)24-18-11-10-14(3)16(5)12-18/h7-13,17H,1-6H3,(H,22,23)
InChIKeyJKTHLQKIPIURBK-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.14
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 53266192) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID53266192
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2c(C)cccc2C(C)C)cc1C
InChIInChI=1S/C21H27NO2/c1-13(2)19-9-7-8-15(4)20(19)22-21(23)17(6)24-18-11-10-14(3)16(5)12-18/h7-13,17H,1-6H3,(H,22,23)
InChIKeyJKTHLQKIPIURBK-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51191193
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide
CID 7816896
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
2-(3,4-dimethylphenoxy)-N-(3-hydroxyphenyl)propanamide
CID 17342123
(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 92674551
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8633890

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 53266192) is 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is Cc1ccc(OC(C)C(=O)Nc2c(C)cccc2C(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is JKTHLQKIPIURBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-13(2)19-9-7-8-15(4)20(19)22-21(23)17(6)24-18-11-10-14(3)16(5)12-18/h7-13,17H,1-6H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 53266192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).