2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide

C17H18N2O3 — CID 163767124

IUPAC2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(N=O)ccc2C)cc1C
InChIInChI=1S/C17H18N2O3/c1-11-5-7-15(8-13(11)3)22-10-17(20)18-16-9-14(19-21)6-4-12(16)2/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyMDHDLJXCXRSJEZ-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.03
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide

2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide (PubChem CID 163767124) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide
PubChem CID163767124
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(N=O)ccc2C)cc1C
InChIInChI=1S/C17H18N2O3/c1-11-5-7-15(8-13(11)3)22-10-17(20)18-16-9-14(19-21)6-4-12(16)2/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyMDHDLJXCXRSJEZ-UHFFFAOYSA-N
XLogP4.03
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332
2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide
CID 9137896
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 7372746
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylbenzoic acid
CID 40910613
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide (CID 163767124) is 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide is Cc1ccc(OCC(=O)Nc2cc(N=O)ccc2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide?
The InChIKey is MDHDLJXCXRSJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-5-7-15(8-13(11)3)22-10-17(20)18-16-9-14(19-21)6-4-12(16)2/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide?
2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide is sourced from PubChem (CID 163767124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).