2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

C22H29NO4 — CID 17329495

IUPAC2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C22H29NO4/c1-15(16-7-12-19(25-5)20(13-16)26-6)23-21(24)14-27-18-10-8-17(9-11-18)22(2,3)4/h7-13,15H,14H2,1-6H3,(H,23,24)
InChIKeyOIOHPBASPKYWSR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.26
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 17329495) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID17329495
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C22H29NO4/c1-15(16-7-12-19(25-5)20(13-16)26-6)23-21(24)14-27-18-10-8-17(9-11-18)22(2,3)4/h7-13,15H,14H2,1-6H3,(H,23,24)
InChIKeyOIOHPBASPKYWSR-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
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 94048948
N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 132655775
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128717
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128720
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
2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 28561063
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552303

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 17329495) is 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is OIOHPBASPKYWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-15(16-7-12-19(25-5)20(13-16)26-6)23-21(24)14-27-18-10-8-17(9-11-18)22(2,3)4/h7-13,15H,14H2,1-6H3,(H,23,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]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 2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 17329495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).