2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C16H23NO4 — CID 43793667

IUPAC2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC(C(C)=O)C(C)C
InChIInChI=1S/C16H23NO4/c1-10(2)16(12(4)18)17-15(19)9-21-13-7-6-11(3)8-14(13)20-5/h6-8,10,16H,9H2,1-5H3,(H,17,19)
InChIKeyHCOSPHJRRYYEGF-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.11
Rot. Bonds7

About 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 43793667) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID43793667
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC(C(C)=O)C(C)C
InChIInChI=1S/C16H23NO4/c1-10(2)16(12(4)18)17-15(19)9-21-13-7-6-11(3)8-14(13)20-5/h6-8,10,16H,9H2,1-5H3,(H,17,19)
InChIKeyHCOSPHJRRYYEGF-UHFFFAOYSA-N
XLogP2.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157150
methyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43406193
methyl 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 17393717
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8808309
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18084333
(2R)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 9157169
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 73419906
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 43793667) is 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide is COc1cc(C)ccc1OCC(=O)NC(C(C)=O)C(C)C.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is HCOSPHJRRYYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10(2)16(12(4)18)17-15(19)9-21-13-7-6-11(3)8-14(13)20-5/h6-8,10,16H,9H2,1-5H3,(H,17,19).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 293.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 43793667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).