N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H21NO3 — CID 112604876

IUPACN-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1ccc(CNC(=O)COC(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-10-13(16)15-9-11-5-7-12(17-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyCZBKOCIDTMJRES-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.13
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604876) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604876
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1ccc(CNC(=O)COC(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-10-13(16)15-9-11-5-7-12(17-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyCZBKOCIDTMJRES-UHFFFAOYSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
2-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112605367
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
2-[(2-methylpropan-2-yl)oxy]-N-[(4-nitrophenyl)methyl]acetamide
CID 112605091
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
(3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 67982847
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604876) is N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is COc1ccc(CNC(=O)COC(C)(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is CZBKOCIDTMJRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-10-13(16)15-9-11-5-7-12(17-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).