N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide

C22H29NO4 — CID 132655775

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29NO4/c1-15(16-7-9-17(10-8-16)22(2,3)4)23-21(24)14-27-20-12-18(25-5)11-19(13-20)26-6/h7-13,15H,14H2,1-6H3,(H,23,24)
InChIKeyBZIABCXXSVONIZ-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.26
Rot. Bonds7

About N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide

N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide (PubChem CID 132655775) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
PubChem CID132655775
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29NO4/c1-15(16-7-9-17(10-8-16)22(2,3)4)23-21(24)14-27-20-12-18(25-5)11-19(13-20)26-6/h7-13,15H,14H2,1-6H3,(H,23,24)
InChIKeyBZIABCXXSVONIZ-UHFFFAOYSA-N
XLogP4.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
2-(3,5-dimethoxyphenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7714005
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657683
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567361
2-(4-bromo-3,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 132763195
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567363
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide (CID 132655775) is N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide is COc1cc(OC)cc(OCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide?
The InChIKey is BZIABCXXSVONIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-15(16-7-9-17(10-8-16)22(2,3)4)23-21(24)14-27-20-12-18(25-5)11-19(13-20)26-6/h7-13,15H,14H2,1-6H3,(H,23,24).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide?
N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide has a molecular weight of 371.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 132655775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).