2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide

C18H21NO3 — CID 2627667

IUPAC2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H21NO3/c1-13-4-7-15(8-5-13)11-19-18(20)12-22-16-9-6-14(2)10-17(16)21-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyNNLVSBNMHSHGOO-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.01
Rot. Bonds6

About 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide

2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 2627667) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID2627667
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H21NO3/c1-13-4-7-15(8-5-13)11-19-18(20)12-22-16-9-6-14(2)10-17(16)21-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyNNLVSBNMHSHGOO-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 31449562
4-[[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 134039174
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112978354
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7686438
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
CID 45347313
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8917733
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100562087

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide (CID 2627667) is 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide is COc1cc(C)ccc1OCC(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NNLVSBNMHSHGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-4-7-15(8-5-13)11-19-18(20)12-22-16-9-6-14(2)10-17(16)21-3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 2627667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).