N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C25H35NO2 — CID 133199972

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H35NO2/c1-16(2)22-14-9-17(3)15-23(22)28-19(5)24(27)26-18(4)20-10-12-21(13-11-20)25(6,7)8/h9-16,18-19H,1-8H3,(H,26,27)
InChIKeyWHUWIFWDYUDFSG-UHFFFAOYSA-N
MW381.56 g/mol
LogP6.06
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 133199972) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID133199972
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H35NO2/c1-16(2)22-14-9-17(3)15-23(22)28-19(5)24(27)26-18(4)20-10-12-21(13-11-20)25(6,7)8/h9-16,18-19H,1-8H3,(H,26,27)
InChIKeyWHUWIFWDYUDFSG-UHFFFAOYSA-N
XLogP6.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 94057718
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133185590
N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
(2R)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 125063920
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94013055
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
CID 30397880
(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100738763
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17326610
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160250

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 133199972) is N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is WHUWIFWDYUDFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-16(2)22-14-9-17(3)15-23(22)28-19(5)24(27)26-18(4)20-10-12-21(13-11-20)25(6,7)8/h9-16,18-19H,1-8H3,(H,26,27).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 381.56 g/mol, XLogP of 6.06, 6 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-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 133199972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).