2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide

C21H27NO2 — CID 132651059

IUPAC2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H27NO2/c1-6-17-8-10-18(11-9-17)24-19(7-2)21(23)22-20-15(4)12-14(3)13-16(20)5/h8-13,19H,6-7H2,1-5H3,(H,22,23)
InChIKeyGRUPQFOCDMAUHW-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.97
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide

2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 132651059) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID132651059
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H27NO2/c1-6-17-8-10-18(11-9-17)24-19(7-2)21(23)22-20-15(4)12-14(3)13-16(20)5/h8-13,19H,6-7H2,1-5H3,(H,22,23)
InChIKeyGRUPQFOCDMAUHW-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 4949931
2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 17073316
(2R)-2-naphthalen-2-yloxy-N-(2,4,6-trimethylphenyl)butanamide
CID 28635759
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
CID 99133056
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
N-tert-butyl-2-(4-ethylphenoxy)butanamide
CID 53288787
N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 133220360
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide (CID 132651059) is 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide is CCc1ccc(OC(CC)C(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is GRUPQFOCDMAUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-17-8-10-18(11-9-17)24-19(7-2)21(23)22-20-15(4)12-14(3)13-16(20)5/h8-13,19H,6-7H2,1-5H3,(H,22,23).
What are the key properties of 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 325.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 132651059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).