2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide

C23H31NO2 — CID 133220360

IUPAC2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide
SMILESCCc1ccc(OC(CC)C(=O)NC(C)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C23H31NO2/c1-7-19-9-11-20(12-10-19)26-22(8-2)23(25)24-18(6)21-14-16(4)15(3)13-17(21)5/h9-14,18,22H,7-8H2,1-6H3,(H,24,25)
InChIKeyVTPJMWDKLHRYNZ-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.21
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide

2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide (PubChem CID 133220360) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide
PubChem CID133220360
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide
SMILESCCc1ccc(OC(CC)C(=O)NC(C)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C23H31NO2/c1-7-19-9-11-20(12-10-19)26-22(8-2)23(25)24-18(6)21-14-16(4)15(3)13-17(21)5/h9-14,18,22H,7-8H2,1-6H3,(H,24,25)
InChIKeyVTPJMWDKLHRYNZ-UHFFFAOYSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 133217502
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133217309
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 132651059
N-tert-butyl-2-(4-ethylphenoxy)butanamide
CID 53288787
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide (CID 133220360) is 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide is CCc1ccc(OC(CC)C(=O)NC(C)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide?
The InChIKey is VTPJMWDKLHRYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-7-19-9-11-20(12-10-19)26-22(8-2)23(25)24-18(6)21-14-16(4)15(3)13-17(21)5/h9-14,18,22H,7-8H2,1-6H3,(H,24,25).
What are the key properties of 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide?
2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide has a molecular weight of 353.51 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 133220360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).