N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide

C21H27NO2 — CID 132651097

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-15(17-11-13-18(14-12-17)21(3,4)5)22-20(23)16(2)24-19-9-7-6-8-10-19/h6-16H,1-5H3,(H,22,23)
InChIKeyXYHAVFLGONAKMR-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.63
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide

N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide (PubChem CID 132651097) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
PubChem CID132651097
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-15(17-11-13-18(14-12-17)21(3,4)5)22-20(23)16(2)24-19-9-7-6-8-10-19/h6-16H,1-5H3,(H,22,23)
InChIKeyXYHAVFLGONAKMR-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 38001892
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
CID 30397880
(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572482
(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 158170724
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
(2R)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100554032
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide
CID 95705953

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide (CID 132651097) is N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide?
The InChIKey is XYHAVFLGONAKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15(17-11-13-18(14-12-17)21(3,4)5)22-20(23)16(2)24-19-9-7-6-8-10-19/h6-16H,1-5H3,(H,22,23).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide?
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide has a molecular weight of 325.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 132651097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).