N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide

C21H27NO3 — CID 92676497

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C21H27NO3/c1-14(2)25-19-8-6-18(7-9-19)12-22-21(23)13-24-20-11-15(3)10-16(4)17(20)5/h6-11,14H,12-13H2,1-5H3,(H,22,23)
InChIKeyOQDNFAWBSSARBS-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.09
Rot. Bonds7

About N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide

N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 92676497) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID92676497
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C21H27NO3/c1-14(2)25-19-8-6-18(7-9-19)12-22-21(23)13-24-20-11-15(3)10-16(4)17(20)5/h6-11,14H,12-13H2,1-5H3,(H,22,23)
InChIKeyOQDNFAWBSSARBS-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911139
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 36568354
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 30715668
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54811586
2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911105
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43904321
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 55588022
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132653925

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide (CID 92676497) is N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is OQDNFAWBSSARBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14(2)25-19-8-6-18(7-9-19)12-22-21(23)13-24-20-11-15(3)10-16(4)17(20)5/h6-11,14H,12-13H2,1-5H3,(H,22,23).
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide?
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 92676497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).