2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide

C18H21NO3 — CID 8921514

IUPAC2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2cccc(C)c2C)c1
InChIInChI=1S/C18H21NO3/c1-13-6-4-9-17(14(13)2)22-12-18(20)19-11-15-7-5-8-16(10-15)21-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyUXQKPVRLPWPBCM-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.01
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide

2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 8921514) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID8921514
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2cccc(C)c2C)c1
InChIInChI=1S/C18H21NO3/c1-13-6-4-9-17(14(13)2)22-12-18(20)19-11-15-7-5-8-16(10-15)21-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyUXQKPVRLPWPBCM-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

2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108878546
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911139
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981876
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide (CID 8921514) is 2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)COc2cccc(C)c2C)c1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is UXQKPVRLPWPBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-6-4-9-17(14(13)2)22-12-18(20)19-11-15-7-5-8-16(10-15)21-3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)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-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8921514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).